data_2rpv_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 2rpv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.458 0.171 . . . . 73.099999999999994 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 64.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.399999999999999 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.219999999999999 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 m120 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.109999999999999 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' A' ' 12' ' ' GLU . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.349999999999994 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 74.5 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.439999999999998 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 75.230000000000004 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.030000000000001 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 74.319999999999993 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.120000000000005 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 73.010000000000005 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.329999999999998 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.41 ' N ' HD21 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.510000000000005 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 75.200000000000003 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.400000000000006 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 60.520000000000003 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 75.299999999999997 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.219999999999999 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 35' ' ' THR . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.130000000000003 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 64.239999999999995 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 108.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 64.230000000000004 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.450000000000003 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.540000000000006 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.430000000000007 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.109999999999999 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CD1' HD13 ' A' ' 24' ' ' LEU . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.578 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.319999999999993 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.349999999999994 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.277 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 75.319999999999993 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.230000000000004 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.719 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 64' ' ' TYR . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.299999999999997 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LYS . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.400000000000006 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 110.356 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.239999999999995 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 72.430000000000007 110.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.467 0.175 . . . . 70.129999999999995 111.02 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.519999999999996 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 62.310000000000002 109.978 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 71.219999999999999 109.278 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.120000000000005 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 43.310000000000002 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 65.219999999999999 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.140000000000001 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.219999999999999 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 75.219999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.099999999999994 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.439999999999998 110.257 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 73.5 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 70.530000000000001 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.510000000000005 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 75.340000000000003 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 64.120000000000005 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.425 ' CG ' HG21 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.450000000000003 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 73.030000000000001 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 71.549999999999997 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.109999999999999 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.150000000000006 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.409999999999997 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.529 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.140000000000001 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 70.209999999999994 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.540000000000006 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.430000000000007 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 109.328 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.140000000000001 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 73.200000000000003 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 110.298 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.510000000000005 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.577 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.744 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 71.319999999999993 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 75.439999999999998 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 62.450000000000003 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.319999999999993 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.540000000000006 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.329999999999998 110.431 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 74.099999999999994 110.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.46 0.172 . . . . 72.219999999999999 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.420000000000002 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.530000000000001 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 71.019999999999996 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 71.340000000000003 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.409999999999997 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.493 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 63.229999999999997 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 74.209999999999994 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 75.420000000000002 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.299999999999997 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.130000000000003 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 72.409999999999997 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.42 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.200000000000003 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD23 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.040000000000006 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 72.019999999999996 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 75.140000000000001 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 74.319999999999993 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.150000000000006 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 64.329999999999998 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 74.439999999999998 110.246 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.546 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.219999999999999 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.129999999999995 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 70.409999999999997 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.340000000000003 108.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 75.420000000000002 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.519999999999996 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 75.519999999999996 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.210000000000001 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 54.039999999999999 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.319999999999993 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.562 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.724 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.420000000000002 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 75.349999999999994 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.530000000000001 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 75.439999999999998 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.129999999999995 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.120000000000005 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.510000000000005 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.239999999999995 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.349999999999994 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.369 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 75.049999999999997 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.200000000000003 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.534 0.207 . . . . 75.400000000000006 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 72.030000000000001 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.140000000000001 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.140000000000001 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.130000000000003 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 73.239999999999995 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.540000000000006 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.140000000000001 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 74.299999999999997 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.400000000000006 110.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 53.329999999999998 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.109999999999999 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.628 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.426 ' N ' HD22 ' A' ' 24' ' ' LEU . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 74.340000000000003 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 73.5 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 64.140000000000001 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.519999999999996 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.030000000000001 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.209999999999994 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.519 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.400000000000006 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.476 ' N ' ' OG1' ' A' ' 35' ' ' THR . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 74.120000000000005 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 72.140000000000001 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.436 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 74.140000000000001 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 61.009999999999998 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.510000000000005 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 72.329999999999998 109.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.230000000000004 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 71.329999999999998 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.109999999999999 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.733 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.530000000000001 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.5 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 72.219999999999999 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.049999999999997 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.040000000000006 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.129999999999995 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.230000000000004 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 74.439999999999998 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 72.200000000000003 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.239999999999995 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 25' ' ' ILE . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 73.120000000000005 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 110.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 74.510000000000005 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 74.129999999999995 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.409999999999997 109.977 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 75.519999999999996 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.219999999999999 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 44.340000000000003 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.109999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 75.430000000000007 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.120000000000005 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 71.510000000000005 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.430000000000007 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 6' ' ' ASN . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 74.400000000000006 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.409999999999997 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.418 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 71.319999999999993 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 72.349999999999994 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.010000000000005 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 72.519999999999996 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.459 ' CD1' ' CG2' ' A' ' 70' ' ' THR . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.439999999999998 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.450000000000003 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 75.150000000000006 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 75.349999999999994 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 73.129999999999995 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 74.319999999999993 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.340000000000003 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 72.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 53.219999999999999 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.129999999999995 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.325 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.540000000000006 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.219999999999999 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.599 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.349999999999994 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE1' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.596 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.439999999999998 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.738 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 73.319999999999993 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.549999999999997 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.129999999999995 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.599 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 74.319999999999993 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.329999999999998 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.510000000000005 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.140000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.030000000000001 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.459 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.329999999999998 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 63.049999999999997 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 73.120000000000005 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.271 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.523 0.201 . . . . 75.200000000000003 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.540000000000006 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.450000000000003 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.109999999999999 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 71.129999999999995 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.209999999999994 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.239999999999995 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.420000000000002 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 64.340000000000003 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 3' ' ' VAL . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 75.420000000000002 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 71.239999999999995 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.653 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.442 HD11 ' CG2' ' A' ' 70' ' ' THR . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.350000000000001 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.200000000000003 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 74.329999999999998 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 74.200000000000003 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.424 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 72.430000000000007 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 55.340000000000003 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.426 ' O ' ' NZ ' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.319999999999993 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 72.019999999999996 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 72.219999999999999 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 65.230000000000004 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.539 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.120000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.737 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.340000000000003 109.275 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 64.430000000000007 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 75.540000000000006 109.249 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.549999999999997 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 73.409999999999997 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.310000000000002 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' HD11 ' A' ' 25' ' ' ILE . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.299999999999997 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 61.140000000000001 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.030000000000001 110.326 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 73.140000000000001 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 75.329999999999998 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.319999999999993 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.340000000000003 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.439999999999998 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 62.219999999999999 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.349999999999994 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 73.209999999999994 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.230000000000004 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.349999999999994 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 61.509999999999998 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.642 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 74.409999999999997 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.493 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.119999999999997 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.540000000000006 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 73.540000000000006 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.040000000000006 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 75.150000000000006 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 73.310000000000002 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.010000000000005 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.49 ' N ' ' OG1' ' A' ' 35' ' ' THR . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.200000000000003 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.240000000000002 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.099999999999994 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 75.120000000000005 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.450000000000003 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.439999999999998 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 74.400000000000006 110.379 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HE2' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.109999999999999 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.510000000000005 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' NZ ' ' HE2' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 75.25 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.561 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.340000000000003 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.400000000000006 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.299999999999997 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.120000000000005 109.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 73.120000000000005 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.329999999999998 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.510000000000005 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.404 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 110.421 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.150000000000006 110.307 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.485 0.184 . . . . 75.010000000000005 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 71.319999999999993 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 75.430000000000007 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.409999999999997 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.450000000000003 109.252 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.540000000000006 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 72.129999999999995 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.030000000000001 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 65.310000000000002 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.310000000000002 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 10' ' ' ALA . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.340000000000003 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 74.450000000000003 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.475 HG23 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 63.439999999999998 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.340000000000003 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.442 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 73.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 49' ' ' PHE . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.549999999999997 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 24' ' ' LEU . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 73.329999999999998 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 70.219999999999999 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 64.120000000000005 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 71.420000000000002 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 64.129999999999995 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.219999999999999 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 62.100000000000001 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.030000000000001 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.530000000000001 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.240000000000002 110.433 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.519999999999996 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 71.519999999999996 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.549 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 61.240000000000002 109.283 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 75.239999999999995 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.329999999999998 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.219999999999999 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.230000000000004 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.439999999999998 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 72.310000000000002 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.340000000000003 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.229999999999997 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 64.549999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.329999999999998 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.405 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.120000000000005 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.219999999999999 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 110.261 -179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.501 0.191 . . . . 74.239999999999995 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.239999999999995 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 75.420000000000002 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 63.539999999999999 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.329999999999998 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 73.439999999999998 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.530000000000001 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.040000000000006 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 71.299999999999997 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.319999999999993 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 73.209999999999994 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 75.5 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 75.310000000000002 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.450000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.561 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.150000000000006 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.140000000000001 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 74.530000000000001 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 65.200000000000003 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 74.349999999999994 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' CE1' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.329999999999998 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.409999999999997 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 63.439999999999998 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 75.329999999999998 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.030000000000001 109.254 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.010000000000005 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' CB ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 74.109999999999999 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.557 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.409999999999997 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.549999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.739 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 71.140000000000001 109.333 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.310000000000002 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 61.329999999999998 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.219999999999999 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.150000000000006 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.745 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.549999999999997 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 70.409999999999997 110.439 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.430000000000007 111.031 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 74.200000000000003 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 64.430000000000007 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.389 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.402 ' HB ' ' CG2' ' A' ' 63' ' ' THR . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.229999999999997 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 110.286 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.515 0.197 . . . . 74.519999999999996 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.329999999999998 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.402 ' OD1' ' CD ' ' A' ' 15' ' ' GLU . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.420000000000002 109.988 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.299999999999997 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.409999999999997 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 72.140000000000001 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.439999999999998 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.409999999999997 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.129999999999995 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.328 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 54.509999999999998 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 73.150000000000006 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.439999999999998 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.982 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 64.140000000000001 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 109.319 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD23 ' A' ' 24' ' ' LEU . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.409999999999997 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.219999999999999 109.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.120000000000005 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 72.310000000000002 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.099999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 65.329999999999998 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.099999999999994 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.529 HG23 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.451 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.450000000000003 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.540000000000006 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 75.310000000000002 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 72.200000000000003 109.279 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.219999999999999 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 72.120000000000005 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CE1' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.129999999999995 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.587 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.209999999999994 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.74 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 75.010000000000005 109.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 71.019999999999996 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.400000000000006 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.592 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.319999999999993 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.329999999999998 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.329999999999998 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.200000000000003 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.408 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.049999999999997 110.32 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 74.310000000000002 111.024 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 71.530000000000001 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 71.409999999999997 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 63.509999999999998 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.292 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.230000000000004 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 72.120000000000005 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.120000000000005 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.150000000000006 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.200000000000003 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.109999999999999 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.049999999999997 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 74.150000000000006 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.230000000000004 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.528 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 75.319999999999993 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 73.120000000000005 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.42 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 72.5 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 63.43 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.430000000000007 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 72.329999999999998 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 73.310000000000002 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 75.549999999999997 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 74.510000000000005 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 62.43 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 74.209999999999994 109.304 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.009999999999998 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 75.230000000000004 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.450000000000003 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 39' ' ' ALA . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 73.120000000000005 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.319999999999993 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.319999999999993 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.430000000000007 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.543 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.420000000000002 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.737 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 62.43 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 72.409999999999997 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 64.319999999999993 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.430000000000007 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.049999999999997 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.200000000000003 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.310000000000002 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 110.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 72.409999999999997 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 74.019999999999996 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.129999999999995 110.233 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.5 0.191 . . . . 72.109999999999999 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 75.019999999999996 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.439999999999998 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.140000000000001 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 63.210000000000001 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.010000000000005 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.450000000000003 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.040000000000006 110.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 64.299999999999997 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 63.020000000000003 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.549999999999997 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 61.329999999999998 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.540000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 72.239999999999995 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.030000000000001 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 74.200000000000003 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 65.219999999999999 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.430000000000007 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.030000000000001 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 70.129999999999995 110.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.57 HG21 ' CE2' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.140000000000001 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 74.430000000000007 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.400000000000006 109.308 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.310000000000002 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.030000000000001 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.420000000000002 109.251 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.430000000000007 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.099999999999994 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.140000000000001 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 65.340000000000003 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.549999999999997 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.55 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.109999999999999 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.25 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.340000000000003 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.409999999999997 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.209999999999994 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 75.329999999999998 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.010000000000005 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.540000000000006 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.340000000000003 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.120000000000005 110.427 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.099999999999994 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 74.239999999999995 110.381 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.5 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 64.540000000000006 110.318 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.501 0.191 . . . . 74.420000000000002 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.539999999999999 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.530000000000001 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.099999999999994 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.009999999999998 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.430000000000007 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.25 110.339 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.109999999999999 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.230000000000004 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.420000000000002 110.429 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.109999999999999 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 70' ' ' THR . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 72.150000000000006 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.530000000000001 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.44 HD13 ' CG2' ' A' ' 70' ' ' THR . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 54.140000000000001 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 75.439999999999998 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 74.340000000000003 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 74.030000000000001 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.040000000000006 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 75.510000000000005 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.299 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 74.329999999999998 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.200000000000003 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.120000000000005 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.510000000000005 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 64.120000000000005 109.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 74.219999999999999 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.329999999999998 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.349999999999994 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.210000000000001 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.738 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 109.274 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.150000000000006 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.319999999999993 109.281 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 62.130000000000003 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.040000000000006 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.439999999999998 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.450000000000003 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 52.32 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 60.539999999999999 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.469 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.340000000000003 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.530000000000001 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.539999999999999 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 110.263 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 74.040000000000006 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 74.510000000000005 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.329999999999998 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 65.340000000000003 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 75.450000000000003 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.010000000000005 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.329999999999998 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.239999999999995 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.310000000000002 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 73.329999999999998 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' OD1' ' A' ' 4' ' ' ASP . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 65.299999999999997 110.291 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 74.150000000000006 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 53.149999999999999 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 74.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.200000000000003 109.347 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.519999999999996 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD21 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.329999999999998 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.319999999999993 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 75.239999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.230000000000004 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.549999999999997 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.209999999999994 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.538 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.409999999999997 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.420000000000002 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 75.019999999999996 109.284 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.129999999999995 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.319999999999993 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.540000000000006 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.539999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' CD1' ' A' ' 22' ' ' TYR . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.349999999999994 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.329999999999998 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 64.209999999999994 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.255 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 73.310000000000002 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.505 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.549999999999997 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.349999999999994 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 64.319999999999993 109.266 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 63.450000000000003 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.109999999999999 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.030000000000001 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 75.430000000000007 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.239999999999995 110.298 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.561 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 74.510000000000005 111.003 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.109999999999999 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.427 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 61.43 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 71.239999999999995 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.1 m120 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.219999999999999 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 73.120000000000005 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 73.040000000000006 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 74.030000000000001 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.530000000000001 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.510000000000005 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 75.5 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 75.150000000000006 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.308 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' CG2' ' A' ' 70' ' ' THR . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.099999999999994 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.420000000000002 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 75.430000000000007 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.285 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 64.239999999999995 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.439999999999998 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.52 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.119999999999997 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 63.450000000000003 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.109999999999999 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 72.430000000000007 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 55.420000000000002 109.269 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 70.510000000000005 109.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.219999999999999 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.129999999999995 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.523 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.129999999999995 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.519999999999996 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.734 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 74.230000000000004 109.278 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.400000000000006 109.293 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.219999999999999 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.430000000000007 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 72.019999999999996 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.329999999999998 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 62.240000000000002 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.441 ' CG2' HD11 ' A' ' 25' ' ' ILE . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.530000000000001 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 63.530000000000001 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 64.099999999999994 110.296 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.509 0.195 . . . . 64.239999999999995 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 74.349999999999994 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.319999999999993 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 71.349999999999994 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.120000000000005 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.400000000000006 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.219999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 4' ' ' ASP . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.209999999999994 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 75.349999999999994 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 74.310000000000002 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG2' ' A' ' 3' ' ' VAL . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.129999999999995 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 73.129999999999995 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 52' ' ' TYR . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.433 ' N ' HD23 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 74.340000000000003 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 73.230000000000004 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 70.430000000000007 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 73.219999999999999 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 73.310000000000002 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 74.530000000000001 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 73.019999999999996 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 109.259 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 74.549999999999997 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.200000000000003 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.109999999999999 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 74.439999999999998 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 75.310000000000002 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 65.129999999999995 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.729 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 65.230000000000004 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.430000000000007 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 75.140000000000001 109.255 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 65.239999999999995 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 74.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 73.109999999999999 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.5 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.149999999999999 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.519999999999996 110.411 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 65.450000000000003 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 72.340000000000003 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 110.315 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.497 0.189 . . . . 73.200000000000003 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 73.549999999999997 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.120000000000005 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.299999999999997 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.219999999999999 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.019999999999996 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 64.230000000000004 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 63.32 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 75.239999999999995 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 74.549999999999997 110.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.439999999999998 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.420000000000002 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.239999999999995 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 70.219999999999999 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.510000000000005 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.239999999999995 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.349999999999994 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 109.34 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.549999999999997 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 63.340000000000003 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.209999999999994 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.562 HG23 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.219999999999999 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 65.230000000000004 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.109999999999999 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 71.430000000000007 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.549999999999997 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.400000000000006 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.340000000000003 110.389 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 63.140000000000001 109.336 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.230000000000004 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 70.040000000000006 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.466 ' C ' ' NE2' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HG23 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.430000000000007 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.099999999999994 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.747 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.257 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.549999999999997 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.229999999999997 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 71.310000000000002 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.430000000000007 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.622 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.349999999999994 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.409999999999997 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.5 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 71.439999999999998 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.450000000000003 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.450000000000003 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CG ' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.308 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.553 0.216 . . . . 75.340000000000003 110.981 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.475 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.519999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 70.129999999999995 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.319999999999993 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 71.150000000000006 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.010000000000005 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.219999999999999 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.109999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 10' ' ' ALA . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.230000000000004 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 62.329999999999998 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.549999999999997 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 64.450000000000003 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 63.409999999999997 109.296 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.417 ' N ' HD21 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 72.299999999999997 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 63.439999999999998 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.329999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 71.299999999999997 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 74.510000000000005 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.299999999999997 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 73.519999999999996 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.310000000000002 109.34 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.349999999999994 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 64.129999999999995 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 110.372 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 75.400000000000006 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.140000000000001 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 52.210000000000001 109.243 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' C ' ' NE2' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.310000000000002 110.3 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 73.420000000000002 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 60.549999999999997 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 72.239999999999995 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.744 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.450000000000003 109.273 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.209999999999994 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 71.420000000000002 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.400000000000006 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.530000000000001 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 71.5 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.140000000000001 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 74.439999999999998 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.329999999999998 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.549999999999997 110.443 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.310000000000002 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 72.019999999999996 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 74.109999999999999 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 72.150000000000006 110.29 179.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.494 0.188 . . . . 73.030000000000001 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.430000000000007 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.019999999999996 109.977 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.540000000000006 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 109.318 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.230000000000004 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.430000000000007 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 73.150000000000006 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.239999999999995 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 74.030000000000001 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 71.25 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 73.420000000000002 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 75.299999999999997 110.373 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.409999999999997 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HE3' ' CG2' ' A' ' 70' ' ' THR . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.209999999999994 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.049999999999997 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD21 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.219999999999999 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.200000000000003 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 73.340000000000003 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 73.150000000000006 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.439999999999998 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.140000000000001 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 61.340000000000003 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.319999999999993 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 72.340000000000003 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.409999999999997 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.329999999999998 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.540000000000006 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.539999999999999 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.439999999999998 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 73.319999999999993 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.340000000000003 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.340000000000003 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.471 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.030000000000001 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.219999999999999 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 110.263 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 11' ' ' TYR . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.509 0.195 . . . . 75.430000000000007 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 75.129999999999995 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.409999999999997 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 72.140000000000001 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.439999999999998 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 52.340000000000003 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.471 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.299999999999997 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 73.409999999999997 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.450000000000003 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.439999999999998 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.287 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 72.129999999999995 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 74.349999999999994 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' CD ' HG21 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.010000000000005 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 52' ' ' TYR . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.219999999999999 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.425 ' N ' HD21 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 65.340000000000003 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 60.149999999999999 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.349999999999994 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 72.230000000000004 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 110.327 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.539999999999999 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.400000000000006 109.329 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 65.310000000000002 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.439999999999998 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.430000000000007 109.27 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.209999999999994 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.624 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 73.010000000000005 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.409999999999997 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.400000000000006 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 71.25 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 63.420000000000002 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.539999999999999 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.019999999999996 109.303 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.329999999999998 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TRP . . . . . 0.624 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 72.450000000000003 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 110.391 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 74.150000000000006 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.355 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 55.240000000000002 108.256 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 -111.06 153.08 26.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.099999999999994 111.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 64.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.399999999999999 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.219999999999999 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 m120 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 72.109999999999999 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 74.420000000000002 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' O ' ' OE1' ' A' ' 12' ' ' GLU . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.349999999999994 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 73.310000000000002 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 75.439999999999998 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 74.5 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.439999999999998 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 110.324 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.552 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 75.230000000000004 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 73.019999999999996 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.030000000000001 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 74.319999999999993 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.120000000000005 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 73.010000000000005 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' CG ' HG23 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.329999999999998 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.622 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' N ' HD21 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.42 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 74.230000000000004 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.510000000000005 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 75.200000000000003 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.400000000000006 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.41 ' CD2' ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.200000000000003 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 60.520000000000003 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 75.299999999999997 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.511 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.219999999999999 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.456 ' N ' ' OG1' ' A' ' 35' ' ' THR . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.130000000000003 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 64.239999999999995 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 108.326 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.403 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 74.209999999999994 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 64.230000000000004 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.450000000000003 110.387 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.540000000000006 109.285 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.430000000000007 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.510000000000005 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.409 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.109999999999999 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.109999999999999 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.523 ' CD1' HD13 ' A' ' 24' ' ' LEU . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.578 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.319999999999993 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.349999999999994 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.277 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.409 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 75.319999999999993 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.230000000000004 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.719 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.412 ' HA ' ' CZ ' ' A' ' 64' ' ' TYR . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.289 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.299999999999997 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LYS . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 75.400000000000006 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 72.299999999999997 110.356 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.239999999999995 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.409 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 72.430000000000007 110.351 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.293 -1.003 . . . . 71.420000000000002 108.293 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 -61.74 163.41 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 111.02 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.519999999999996 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 62.310000000000002 109.978 179.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 71.219999999999999 109.278 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.120000000000005 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 43.310000000000002 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 65.219999999999999 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 75.140000000000001 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.219999999999999 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 75.219999999999999 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.099999999999994 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.439999999999998 110.257 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.503 HD22 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 73.5 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 70.530000000000001 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 54.409999999999997 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.426 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.510000000000005 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 75.340000000000003 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 64.120000000000005 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.430000000000007 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.425 ' CG ' HG21 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 65.450000000000003 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 24' ' ' LEU . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 75.530000000000001 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 73.030000000000001 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 71.549999999999997 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.109999999999999 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.150000000000006 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.409999999999997 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.529 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.453 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 64.329999999999998 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.140000000000001 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 75.439999999999998 109.318 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 70.209999999999994 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.540000000000006 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.430000000000007 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 109.328 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.140000000000001 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 73.200000000000003 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.439999999999998 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 74.209999999999994 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 110.298 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.510000000000005 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.577 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.744 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 73.230000000000004 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.416 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 71.319999999999993 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.109999999999999 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 75.439999999999998 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 62.450000000000003 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.319999999999993 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.540000000000006 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 73.129999999999995 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.329999999999998 110.431 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 74.230000000000004 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 74.099999999999994 110.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.289 -1.004 . . . . 65.310000000000002 108.289 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.2 m-85 -114.95 156.51 24.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 72.219999999999999 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.420000000000002 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.530000000000001 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 71.019999999999996 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 71.340000000000003 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.493 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.409999999999997 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.493 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 63.229999999999997 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 75.329999999999998 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 74.209999999999994 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 75.420000000000002 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.299999999999997 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.130000000000003 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.464 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 72.409999999999997 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.42 ' O ' ' CE2' ' A' ' 22' ' ' TYR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.200000000000003 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.418 ' NZ ' HG21 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 73.030000000000001 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD23 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 72.219999999999999 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.040000000000006 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 72.019999999999996 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 75.140000000000001 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 74.319999999999993 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 72.150000000000006 109.283 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 64.329999999999998 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 74.439999999999998 110.246 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.546 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.219999999999999 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 74.129999999999995 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 70.409999999999997 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.340000000000003 108.295 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 75.420000000000002 109.31 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 74.519999999999996 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 75.519999999999996 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.210000000000001 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 54.039999999999999 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 73.319999999999993 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 73.340000000000003 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.562 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.319999999999993 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 74.510000000000005 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.546 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.512 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 74.409999999999997 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.724 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.412 ' CG1' ' HB2' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.420000000000002 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 75.349999999999994 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.530000000000001 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 75.439999999999998 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 73.129999999999995 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 74.329999999999998 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.120000000000005 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 74.439999999999998 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.510000000000005 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.239999999999995 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.418 HG21 ' NZ ' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.349999999999994 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 74.040000000000006 110.369 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 75.049999999999997 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.200000000000003 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.412 ' HB2' ' CG1' ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 75.430000000000007 110.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.324 -0.991 . . . . 73.540000000000006 108.324 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 -61.92 163.13 8.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.03 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 72.030000000000001 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.140000000000001 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.140000000000001 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.130000000000003 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 73.239999999999995 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.540000000000006 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.140000000000001 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 63.310000000000002 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 74.299999999999997 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.400000000000006 110.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.444 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 71.409999999999997 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 53.329999999999998 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.109999999999999 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.540000000000006 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.439 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.628 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.426 ' N ' HD22 ' A' ' 24' ' ' LEU . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 74.340000000000003 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 73.5 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 64.140000000000001 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.519999999999996 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 74.030000000000001 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 72.109999999999999 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.209999999999994 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.519 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.400000000000006 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.476 ' N ' ' OG1' ' A' ' 35' ' ' THR . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 74.120000000000005 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 72.140000000000001 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.436 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 74.140000000000001 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 61.009999999999998 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.510000000000005 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.435 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 72.329999999999998 109.271 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.692 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' CZ ' HG22 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.230000000000004 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 71.329999999999998 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.109999999999999 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.733 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.530000000000001 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.5 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 72.219999999999999 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.049999999999997 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.040000000000006 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.692 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.129999999999995 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 75.209999999999994 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.230000000000004 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 74.439999999999998 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 72.200000000000003 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 71.329999999999998 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.239999999999995 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.411 ' CG2' HD13 ' A' ' 25' ' ' ILE . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 74.519999999999996 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 74.219999999999999 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 72.430000000000007 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 73.120000000000005 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 110.31 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.308 -0.997 . . . . 74.299999999999997 108.308 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 -107.93 140.78 40.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 110.993 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 74.129999999999995 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.409999999999997 109.977 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 75.519999999999996 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.219999999999999 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 44.340000000000003 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.109999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 75.430000000000007 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.120000000000005 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 71.510000000000005 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.430000000000007 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 74.400000000000006 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.409999999999997 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.495 ' CB ' ' O ' ' A' ' 1' ' ' CYS . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 71.319999999999993 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 72.349999999999994 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 75.010000000000005 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 72.519999999999996 109.291 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.540000000000006 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.459 ' CD1' ' CG2' ' A' ' 70' ' ' THR . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.439999999999998 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.450000000000003 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 75.150000000000006 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 74.340000000000003 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.416 ' CD2' ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.420000000000002 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 75.349999999999994 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 73.129999999999995 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.567 HG23 ' CE1' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 74.319999999999993 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.340000000000003 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 109.315 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 72.329999999999998 109.319 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 53.219999999999999 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.129999999999995 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 74.209999999999994 109.325 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.540000000000006 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 75.219999999999999 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 74.319999999999993 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.599 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.349999999999994 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.010000000000005 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CE1' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 74.420000000000002 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.596 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.439999999999998 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.738 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 73.319999999999993 109.321 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.549999999999997 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.129999999999995 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.599 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 74.319999999999993 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.329999999999998 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 74.510000000000005 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.140000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 64.030000000000001 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.459 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 75.340000000000003 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.329999999999998 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 63.049999999999997 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 73.120000000000005 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.271 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.254 -1.017 . . . . 73.219999999999999 108.254 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.565 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 -61.87 166.2 4.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 75.200000000000003 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.474 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.540000000000006 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.450000000000003 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.109999999999999 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 75.129999999999995 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 71.129999999999995 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.209999999999994 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.239999999999995 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.420000000000002 110.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.491 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 74.430000000000007 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 64.340000000000003 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.474 HG23 ' CG2' ' A' ' 3' ' ' VAL . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 75.420000000000002 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 74.329999999999998 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 71.239999999999995 109.271 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.653 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.442 HD11 ' CG2' ' A' ' 70' ' ' THR . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 73.299999999999997 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 73.530000000000001 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.350000000000001 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.140000000000001 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.510000000000005 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.200000000000003 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 74.329999999999998 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 75.239999999999995 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 74.200000000000003 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.424 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 72.430000000000007 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 75.409999999999997 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 55.340000000000003 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.426 ' O ' ' NZ ' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.319999999999993 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.44 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 72.019999999999996 109.303 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.269 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 72.219999999999999 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.498 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 65.230000000000004 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.539 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.120000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.737 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.340000000000003 109.275 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 64.430000000000007 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 75.540000000000006 109.249 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.549999999999997 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 73.409999999999997 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 72.239999999999995 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.109999999999999 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.310000000000002 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.442 ' CG2' HD11 ' A' ' 25' ' ' ILE . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.299999999999997 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 61.140000000000001 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.030000000000001 110.326 179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.299 -1.0 . . . . 65.420000000000002 108.299 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.557 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 -61.7 162.45 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 73.140000000000001 111.026 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 75.329999999999998 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.319999999999993 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 74.450000000000003 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.340000000000003 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.439999999999998 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 62.219999999999999 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.349999999999994 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 73.209999999999994 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.230000000000004 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.349999999999994 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 61.509999999999998 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 74.519999999999996 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 73.430000000000007 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.285 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.642 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 74.409999999999997 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.493 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 75.0 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.119999999999997 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.540000000000006 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 73.540000000000006 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.498 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.040000000000006 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 75.150000000000006 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 73.310000000000002 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 36' ' ' THR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.010000000000005 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.49 ' N ' ' OG1' ' A' ' 35' ' ' THR . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 74.120000000000005 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.200000000000003 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.240000000000002 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 74.099999999999994 109.306 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 75.120000000000005 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.450000000000003 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 73.219999999999999 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 73.439999999999998 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 74.400000000000006 110.379 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.32 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.478 ' HE2' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 74.109999999999999 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.510000000000005 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' NZ ' ' HE2' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.319999999999993 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 75.25 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.555 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.561 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.340000000000003 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.400000000000006 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.299999999999997 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.120000000000005 109.292 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 73.120000000000005 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 73.430000000000007 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.718 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.329999999999998 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 75.510000000000005 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.404 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.129999999999995 110.421 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 75.299999999999997 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.150000000000006 110.307 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.293 -1.003 . . . . 71.409999999999997 108.293 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 -61.65 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.010000000000005 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 71.319999999999993 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 75.430000000000007 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 73.409999999999997 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.450000000000003 109.252 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.540000000000006 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 72.129999999999995 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.030000000000001 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 65.310000000000002 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 75.319999999999993 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.310000000000002 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 110.297 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.340000000000003 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 74.450000000000003 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 HG23 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 63.439999999999998 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.310000000000002 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.340000000000003 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 74.340000000000003 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.442 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 73.0 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD21 ' CD1' ' A' ' 49' ' ' PHE . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.549999999999997 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' N ' HD23 ' A' ' 24' ' ' LEU . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 73.329999999999998 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.518 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 70.219999999999999 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 64.120000000000005 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 71.420000000000002 109.325 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 74.310000000000002 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 64.129999999999995 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.219999999999999 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.528 HG23 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 62.100000000000001 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 74.450000000000003 109.3 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.030000000000001 109.269 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.530000000000001 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 73.140000000000001 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.240000000000002 110.433 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.301 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 72.519999999999996 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 71.519999999999996 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.549 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 75.340000000000003 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 75.120000000000005 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 61.240000000000002 109.283 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 75.239999999999995 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.329999999999998 109.286 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.219999999999999 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.230000000000004 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.439999999999998 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 73.329999999999998 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 72.310000000000002 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 73.340000000000003 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.229999999999997 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 64.549999999999997 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.329999999999998 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 110.405 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.120000000000005 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 73.219999999999999 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 110.261 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.294 -1.002 . . . . 61.140000000000001 108.294 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 -106.98 152.27 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 111.011 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.239999999999995 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.433 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 75.420000000000002 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 63.539999999999999 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.329999999999998 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 73.439999999999998 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.530000000000001 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.040000000000006 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 71.299999999999997 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.488 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.319999999999993 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.472 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 73.209999999999994 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 75.5 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 75.310000000000002 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 64.409999999999997 109.307 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.638 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.413 ' N ' HD23 ' A' ' 24' ' ' LEU . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.450000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.561 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 75.129999999999995 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.150000000000006 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 74.140000000000001 109.296 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 74.530000000000001 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 65.200000000000003 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 74.349999999999994 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.547 HG21 ' CE1' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 75.329999999999998 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.409999999999997 109.325 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 74.099999999999994 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 63.439999999999998 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 75.329999999999998 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.030000000000001 109.254 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 75.010000000000005 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' CB ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 64.420000000000002 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 75.510000000000005 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 74.109999999999999 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.557 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.409999999999997 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.549999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.739 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 71.140000000000001 109.333 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.310000000000002 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 61.329999999999998 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.219999999999999 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.150000000000006 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.745 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.549999999999997 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.402 ' CG2' ' HB ' ' A' ' 72' ' ' THR . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 70.409999999999997 110.439 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.430000000000007 111.031 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 74.200000000000003 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 64.430000000000007 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.389 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 65.530000000000001 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.402 ' HB ' ' CG2' ' A' ' 63' ' ' THR . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 72.0 110.371 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 63.229999999999997 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 110.286 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.245 -1.02 . . . . 73.099999999999994 108.245 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 -61.89 153.25 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 110.965 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.443 ' CG1' HG22 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.329999999999998 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.420000000000002 109.988 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.299999999999997 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 75.409999999999997 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 72.140000000000001 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.439999999999998 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.409999999999997 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.129999999999995 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.328 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.481 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 54.509999999999998 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 73.150000000000006 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' CG2' ' C ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.439999999999998 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.982 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 73.329999999999998 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 64.140000000000001 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.129999999999995 109.319 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 75.239999999999995 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.43 ' N ' HD23 ' A' ' 24' ' ' LEU . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.409999999999997 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.219999999999999 109.334 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.120000000000005 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 72.310000000000002 109.307 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.099999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 65.329999999999998 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.099999999999994 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.529 HG23 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.120000000000005 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.451 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.450000000000003 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 72.540000000000006 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 75.310000000000002 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 72.200000000000003 109.279 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 64.219999999999999 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 72.120000000000005 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.592 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 75.439999999999998 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.529 ' CE1' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.129999999999995 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.587 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 73.209999999999994 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 74.340000000000003 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.74 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 75.010000000000005 109.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 71.019999999999996 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.400000000000006 109.291 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 74.219999999999999 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.592 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.319999999999993 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.510000000000005 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.329999999999998 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 75.140000000000001 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.329999999999998 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 73.200000000000003 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.408 ' CG2' ' CD1' ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 72.120000000000005 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.049999999999997 110.32 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.31 -0.996 . . . . 72.299999999999997 108.31 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 -106.99 150.8 26.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 74.310000000000002 111.024 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 71.530000000000001 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 71.409999999999997 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 63.509999999999998 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.292 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.230000000000004 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 72.120000000000005 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.120000000000005 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.150000000000006 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.299999999999997 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.200000000000003 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.109999999999999 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.049999999999997 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 74.150000000000006 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 1' ' ' CYS . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.230000000000004 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 71.010000000000005 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.528 ' CD1' ' HB3' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 75.319999999999993 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 74.239999999999995 109.276 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.556 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 73.120000000000005 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.514 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 72.5 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 63.43 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.430000000000007 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 72.329999999999998 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 73.310000000000002 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.479 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 75.549999999999997 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 74.510000000000005 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.425 ' HB2' ' CG2' ' A' ' 44' ' ' THR . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 62.43 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 74.209999999999994 109.304 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.009999999999998 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 75.230000000000004 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.450000000000003 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' CG2' ' HB2' ' A' ' 39' ' ' ALA . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.528 ' HB3' ' CD1' ' A' ' 22' ' ' TYR . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 73.120000000000005 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 64.319999999999993 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.319999999999993 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.497 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 74.430000000000007 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.543 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.420000000000002 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 75.519999999999996 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.737 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 62.43 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 72.409999999999997 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 72.219999999999999 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 64.319999999999993 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.430000000000007 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 75.049999999999997 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 75.200000000000003 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 75.010000000000005 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.230000000000004 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.310000000000002 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 110.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 72.409999999999997 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 74.019999999999996 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 73.129999999999995 110.233 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.312 -0.995 . . . . 73.129999999999995 108.312 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 -61.78 162.3 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 72.109999999999999 111.016 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 75.019999999999996 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.439999999999998 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 62.140000000000001 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 63.210000000000001 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.010000000000005 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.450000000000003 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.040000000000006 110.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.472 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 64.299999999999997 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 63.020000000000003 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.549999999999997 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 61.329999999999998 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.219999999999999 109.287 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 74.540000000000006 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 72.239999999999995 109.299 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.533 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.030000000000001 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 74.200000000000003 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 65.219999999999999 109.274 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.430000000000007 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.030000000000001 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 70.129999999999995 110.28 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.57 HG21 ' CE2' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 75.439999999999998 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.140000000000001 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.408 ' C ' ' CG2' ' A' ' 19' ' ' THR . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 74.430000000000007 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.400000000000006 109.308 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.310000000000002 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.030000000000001 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.420000000000002 109.251 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.430000000000007 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.099999999999994 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 74.140000000000001 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.554 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 75.439999999999998 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 65.340000000000003 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.549999999999997 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.55 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.109999999999999 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 71.329999999999998 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 73.25 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.340000000000003 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.409999999999997 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.209999999999994 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 75.329999999999998 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 74.010000000000005 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.540000000000006 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.382 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.340000000000003 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.120000000000005 110.427 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.099999999999994 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 74.239999999999995 110.381 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.5 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 64.540000000000006 110.318 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.285 -1.006 . . . . 71.450000000000003 108.285 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 -61.64 169.04 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 74.420000000000002 110.988 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.539999999999999 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.530000000000001 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 74.329999999999998 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.099999999999994 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.009999999999998 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.445 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.430000000000007 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 73.25 110.339 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.109999999999999 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.230000000000004 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 75.420000000000002 110.429 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.109999999999999 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HE3' ' CG2' ' A' ' 70' ' ' THR . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 72.150000000000006 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.577 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.530000000000001 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.44 HD13 ' CG2' ' A' ' 70' ' ' THR . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 74.209999999999994 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 54.140000000000001 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 75.439999999999998 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 74.340000000000003 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.499 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 74.030000000000001 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.040000000000006 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.517 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 75.510000000000005 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.299 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 74.329999999999998 109.332 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.200000000000003 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.403 ' O ' ' NZ ' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.120000000000005 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.510000000000005 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 64.120000000000005 109.301 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.420000000000002 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 72.329999999999998 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 74.219999999999999 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.329999999999998 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.553 ' CD2' HD12 ' A' ' 24' ' ' LEU . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.349999999999994 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.210000000000001 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.738 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 109.274 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.150000000000006 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.319999999999993 109.281 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 62.130000000000003 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.040000000000006 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.439999999999998 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.450000000000003 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 52.32 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' CG ' ' NZ ' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.402 ' O ' ' C ' ' A' ' 69' ' ' LYS . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 60.539999999999999 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.469 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.340000000000003 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.530000000000001 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 74.329999999999998 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.539999999999999 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 110.263 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 64.129999999999995 108.303 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 -106.28 153.34 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.040000000000006 111.049 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.47 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 74.510000000000005 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.329999999999998 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 65.340000000000003 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 75.450000000000003 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.010000000000005 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.329999999999998 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.239999999999995 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.310000000000002 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 73.329999999999998 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 65.299999999999997 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 74.150000000000006 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 53.149999999999999 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.47 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 74.0 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.200000000000003 109.347 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 ' CD1' ' CD1' ' A' ' 52' ' ' TYR . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.519999999999996 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD21 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 73.310000000000002 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 HD13 ' CD1' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.329999999999998 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.319999999999993 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 75.239999999999995 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 73.219999999999999 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.230000000000004 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.549999999999997 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.209999999999994 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.538 ' CG2' ' CD1' ' A' ' 24' ' ' LEU . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 74.150000000000006 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.409999999999997 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.420000000000002 109.324 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 75.019999999999996 109.284 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.129999999999995 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.319999999999993 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.540000000000006 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.539999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' CB ' ' CD1' ' A' ' 22' ' ' TYR . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.349999999999994 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.329999999999998 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 64.209999999999994 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.255 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 75.329999999999998 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.314 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 73.310000000000002 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.505 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.549999999999997 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.732 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 72.349999999999994 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 72.310000000000002 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 64.319999999999993 109.266 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 63.450000000000003 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.109999999999999 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.030000000000001 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 75.430000000000007 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 73.239999999999995 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.387 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 75.239999999999995 110.298 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.316 -0.994 . . . . 74.329999999999998 108.316 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.561 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 -106.88 154.2 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 74.510000000000005 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.463 ' HB ' ' CG2' ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.109999999999999 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.427 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 61.43 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 71.239999999999995 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.1 m120 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.219999999999999 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 73.219999999999999 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 73.120000000000005 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.439999999999998 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 73.040000000000006 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 74.030000000000001 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.530000000000001 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.531 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.510000000000005 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 75.5 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 75.150000000000006 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' CG2' ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 72.439999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.308 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.645 ' CD2' ' CD1' ' A' ' 49' ' ' PHE . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 HD11 ' CG2' ' A' ' 70' ' ' THR . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 75.099999999999994 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.420000000000002 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 75.430000000000007 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.285 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 64.239999999999995 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.439999999999998 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.52 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 63.119999999999997 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 75.409999999999997 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 63.450000000000003 109.299 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 109.314 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.109999999999999 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 72.430000000000007 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.436 ' O ' ' CG ' ' A' ' 47' ' ' LYS . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 55.420000000000002 109.269 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 70.510000000000005 109.298 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.219999999999999 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.52 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.129999999999995 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.523 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.129999999999995 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 75.319999999999993 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.519999999999996 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.734 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 74.230000000000004 109.278 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.400000000000006 109.293 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.219999999999999 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.430000000000007 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 72.019999999999996 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.329999999999998 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 62.240000000000002 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.430000000000007 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.441 ' CG2' HD11 ' A' ' 25' ' ' ILE . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.530000000000001 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 63.530000000000001 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 64.099999999999994 110.296 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.266 -1.013 . . . . 73.519999999999996 108.266 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 -117.06 156.09 28.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.039 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 74.349999999999994 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.319999999999993 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.464 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 71.349999999999994 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.464 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.120000000000005 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.400000000000006 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.219999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.562 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.209999999999994 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 75.349999999999994 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 74.310000000000002 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.473 HG23 ' CG2' ' A' ' 3' ' ' VAL . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.129999999999995 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.438 ' HB2' ' CE1' ' A' ' 22' ' ' TYR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 73.129999999999995 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 75.319999999999993 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 75.230000000000004 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 52' ' ' TYR . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.433 ' N ' HD23 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 74.340000000000003 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.464 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 73.230000000000004 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 73.129999999999995 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 70.430000000000007 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 74.010000000000005 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 73.239999999999995 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.409999999999997 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 73.219999999999999 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 73.310000000000002 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 74.530000000000001 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 75.310000000000002 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.129999999999995 109.311 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 74.120000000000005 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 73.019999999999996 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 73.439999999999998 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 74.230000000000004 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 75.209999999999994 109.259 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 74.549999999999997 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.200000000000003 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.109999999999999 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 74.439999999999998 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.565 ' CD2' HD13 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 75.310000000000002 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.329999999999998 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 65.129999999999995 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.729 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 65.230000000000004 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.430000000000007 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 75.140000000000001 109.255 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 65.239999999999995 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 74.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 73.109999999999999 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 71.329999999999998 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 72.310000000000002 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.5 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.149999999999999 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.519999999999996 110.411 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 65.450000000000003 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 74.129999999999995 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 72.340000000000003 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 71.450000000000003 110.315 179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.292 -1.003 . . . . 71.430000000000007 108.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 -61.82 162.66 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 73.200000000000003 111.041 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.459 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 73.549999999999997 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.120000000000005 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.299999999999997 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.219999999999999 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.019999999999996 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 64.230000000000004 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 63.32 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 75.239999999999995 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 74.549999999999997 110.274 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.439999999999998 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.420000000000002 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.239999999999995 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 70.219999999999999 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.510000000000005 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.562 HD13 ' CD2' ' A' ' 52' ' ' TYR . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 74.310000000000002 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.427 ' N ' HD23 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.471 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.239999999999995 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.349999999999994 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 74.099999999999994 109.34 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 73.549999999999997 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 63.340000000000003 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.209999999999994 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.562 HG23 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.219999999999999 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 65.230000000000004 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.109999999999999 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 71.430000000000007 109.309 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.549999999999997 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.400000000000006 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.340000000000003 110.389 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 63.140000000000001 109.336 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 71.230000000000004 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 47' ' ' LYS . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 74.099999999999994 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 70.040000000000006 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.466 ' C ' ' NE2' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.562 ' CE2' HG23 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 70.430000000000007 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.099999999999994 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.747 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.257 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.549999999999997 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.446 HG11 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.229999999999997 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 71.310000000000002 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.430000000000007 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.622 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.349999999999994 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.409999999999997 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 74.5 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 71.439999999999998 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 74.450000000000003 110.401 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.450000000000003 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 74.329999999999998 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.446 ' CG ' HG11 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.308 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.291 -1.003 . . . . 60.310000000000002 108.291 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 -110.15 160.24 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.475 ' CG2' HG22 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.519999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 70.129999999999995 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.430000000000007 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.319999999999993 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 71.150000000000006 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.010000000000005 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 73.329999999999998 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.219999999999999 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.109999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.230000000000004 110.342 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 62.329999999999998 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.549999999999997 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 64.450000000000003 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 63.409999999999997 109.296 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 52' ' ' TYR . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 73.239999999999995 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' N ' HD21 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 72.299999999999997 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 63.439999999999998 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.329999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 71.299999999999997 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 74.510000000000005 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.492 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.299999999999997 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 75.239999999999995 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 73.519999999999996 109.32 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.310000000000002 109.34 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.349999999999994 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 64.129999999999995 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 110.372 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 75.400000000000006 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.140000000000001 109.295 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 52.210000000000001 109.243 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' C ' ' NE2' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.310000000000002 110.3 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.563 ' CD2' HD12 ' A' ' 24' ' ' LEU . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 73.420000000000002 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.503 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 60.549999999999997 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 72.239999999999995 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.744 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.450000000000003 109.273 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.209999999999994 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 71.420000000000002 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.400000000000006 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.120000000000005 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.530000000000001 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 71.5 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.140000000000001 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 73.219999999999999 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 74.439999999999998 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 72.329999999999998 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.549999999999997 110.443 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.310000000000002 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 72.019999999999996 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 74.109999999999999 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 72.150000000000006 110.29 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' THR . 1.4 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.01 . . . . 74.439999999999998 108.272 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 -103.72 148.5 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 73.030000000000001 111.027 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.430000000000007 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.019999999999996 109.977 179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.540000000000006 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.019999999999996 109.318 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.230000000000004 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.430000000000007 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 73.150000000000006 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.239999999999995 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 74.030000000000001 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 71.25 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.3 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 73.420000000000002 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 1' ' ' CYS . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 75.299999999999997 110.373 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.409999999999997 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' HE3' ' CG2' ' A' ' 70' ' ' THR . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.209999999999994 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 HD23 ' CE1' ' A' ' 49' ' ' PHE . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.049999999999997 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.418 ' N ' HD21 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.219999999999999 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.200000000000003 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 73.340000000000003 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.519999999999996 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 73.150000000000006 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.518 HG23 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.439999999999998 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.441 ' HB2' ' CB ' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.331 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.140000000000001 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 61.340000000000003 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 73.209999999999994 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 73.230000000000004 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.319999999999993 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 74.430000000000007 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.518 ' CZ ' HG23 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 72.340000000000003 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.409999999999997 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.329999999999998 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 71.540000000000006 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 62.539999999999999 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.439999999999998 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 73.319999999999993 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.420000000000002 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.340000000000003 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.340000000000003 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.471 ' CG2' ' HE3' ' A' ' 23' ' ' LYS . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.030000000000001 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.219999999999999 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 110.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 75.549999999999997 108.291 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CD2' ' A' ' 11' ' ' TYR . 6.2 m-85 -95.86 168.95 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 75.430000000000007 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' ' CG2' ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 75.129999999999995 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.409999999999997 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 72.140000000000001 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 65.439999999999998 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 75.209999999999994 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 52.340000000000003 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.471 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.299999999999997 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 73.409999999999997 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.427 ' N ' HD13 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.450000000000003 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.439999999999998 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 72.129999999999995 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.483 ' CG2' ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 74.349999999999994 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' CD ' HG21 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.010000000000005 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 ' CD1' ' A' ' 52' ' ' TYR . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.219999999999999 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.425 ' N ' HD21 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.501 ' CD1' ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 75.150000000000006 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 65.340000000000003 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 60.149999999999999 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.349999999999994 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 74.049999999999997 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 72.230000000000004 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 74.420000000000002 110.327 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 36' ' ' THR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 64.540000000000006 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.539999999999999 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.400000000000006 109.329 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 65.310000000000002 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 71.439999999999998 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 64.430000000000007 109.27 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.209999999999994 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.624 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 75.319999999999993 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.57 ' CD1' HD12 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 73.010000000000005 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.553 ' CB ' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.409999999999997 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.400000000000006 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 71.25 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.742 ' N ' HD21 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 63.420000000000002 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.539999999999999 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.019999999999996 109.303 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.329999999999998 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.624 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 74.049999999999997 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 62.210000000000001 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 72.450000000000003 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 71.319999999999993 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 74.310000000000002 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.430000000000007 110.391 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 74.150000000000006 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.355 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.458 0.171 . . . . 65.230000000000004 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.539 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 53.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.399999999999999 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.219999999999999 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.495 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.5 m-20 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.230000000000004 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.69 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 60.240000000000002 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.69 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.349999999999994 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 65.109999999999999 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.439999999999998 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.495 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 70.230000000000004 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 60.350000000000001 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.030000000000001 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 72.019999999999996 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.120000000000005 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 54.310000000000002 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.329999999999998 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 43.229999999999997 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' N ' HD22 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 52.210000000000001 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.200000000000003 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.510000000000005 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 72.140000000000001 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.400000000000006 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 71.030000000000001 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 22.210000000000001 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 64.5 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.219999999999999 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 23' ' ' LYS . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.130000000000003 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 61.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 108.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 41.530000000000001 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 51.219999999999999 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.450000000000003 110.387 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.540000000000006 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.409999999999997 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' THR . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.109999999999999 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 70.310000000000002 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.319999999999993 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 52.210000000000001 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.692 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.277 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 65.349999999999994 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.230000000000004 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.299999999999997 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.535 HG23 ' HB ' ' A' ' 70' ' ' THR . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 62.109999999999999 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.535 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 44.109999999999999 110.356 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 70.140000000000001 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 64.239999999999995 110.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.467 0.175 . . . . 70.129999999999995 111.02 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.912 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.519999999999996 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 61.100000000000001 109.978 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.538 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.1 m-20 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.3 t-20 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 65.420000000000002 109.278 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.120000000000005 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 41.149999999999999 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 62.350000000000001 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 63.149999999999999 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 60.450000000000003 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.099999999999994 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 53.240000000000002 110.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.209999999999994 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 50.020000000000003 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.912 HG21 ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.129999999999995 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 52.439999999999998 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' CG ' HG22 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.25 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 70' ' ' THR . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 64.400000000000006 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.530000000000001 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.109999999999999 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.150000000000006 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.409999999999997 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.625 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 23' ' ' LYS . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 61.109999999999999 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.140000000000001 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 62.140000000000001 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 50.409999999999997 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.540000000000006 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.430000000000007 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.140000000000001 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 53.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.420000000000002 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 72.299999999999997 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 110.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.510000000000005 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.763 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 63.219999999999999 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.819 HG13 ' CD ' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 70.200000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 53.130000000000003 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.777 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 73.150000000000006 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 53.299999999999997 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.230000000000004 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.540000000000006 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 65.140000000000001 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 23' ' ' LYS . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.329999999999998 110.431 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.219999999999999 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.819 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 51.340000000000003 110.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.46 0.172 . . . . 64.430000000000007 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.575 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.420000000000002 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.530000000000001 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 51.299999999999997 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.416 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.0 m-20 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.291 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 45.140000000000001 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.409999999999997 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 55.32 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 72.430000000000007 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 70.129999999999995 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 53.049999999999997 110.331 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.299999999999997 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.130000000000003 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 71.299999999999997 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.448 ' H ' HG22 ' A' ' 19' ' ' THR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.200000000000003 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.030000000000001 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' HD22 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 62.009999999999998 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.040000000000006 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.230000000000004 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 62.310000000000002 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.283 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 44.140000000000001 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 35' ' ' THR . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 73.299999999999997 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.715 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.219999999999999 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.430000000000007 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.200000000000003 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.340000000000003 108.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.120000000000005 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 71.049999999999997 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.210000000000001 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 43.119999999999997 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.219999999999999 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 54.32 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.329999999999998 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.853 HG13 ' CD ' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.420000000000002 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 55.030000000000001 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 63.229999999999997 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.530000000000001 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 70.209999999999994 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 63.32 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.120000000000005 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 71.150000000000006 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.510000000000005 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.239999999999995 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.349999999999994 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.109999999999999 110.369 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 63.420000000000002 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.200000000000003 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.853 ' CD ' HG13 ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.109999999999999 110.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.534 0.207 . . . . 75.400000000000006 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 71.400000000000006 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.140000000000001 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.140000000000001 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.2 m-20 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.209999999999994 109.281 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.130000000000003 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 32.030000000000001 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.540000000000006 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.140000000000001 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 41.310000000000002 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 63.039999999999999 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.400000000000006 110.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.509999999999998 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 51.109999999999999 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 61.509999999999998 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 39' ' ' ALA . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.109999999999999 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.219999999999999 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD11 ' HD2' ' A' ' 23' ' ' LYS . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 55.25 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 60.229999999999997 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 51.310000000000002 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.614 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.329999999999998 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 52.210000000000001 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.209999999999994 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.400000000000006 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 23' ' ' LYS . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.420000000000002 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 43.439999999999998 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 31.32 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 44.350000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.510000000000005 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 44' ' ' THR . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 54.32 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.510000000000005 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 61.539999999999999 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.200000000000003 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 62.420000000000002 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.109999999999999 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.751 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.530000000000001 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.25 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 54.399999999999999 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.049999999999997 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.040000000000006 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.756 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.129999999999995 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.230000000000004 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 72.530000000000001 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 64.420000000000002 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.573 HG23 ' HB ' ' A' ' 70' ' ' THR . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 65.409999999999997 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.239999999999995 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.573 ' HB ' HG23 ' A' ' 68' ' ' THR . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 65.230000000000004 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 71.400000000000006 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 62.119999999999997 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 72.040000000000006 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 110.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 74.510000000000005 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.887 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 70.329999999999998 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.409999999999997 109.977 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.552 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 5.9 m-20 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.210000000000001 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.795 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 31.030000000000001 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.795 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.109999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.230000000000004 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.120000000000005 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 60.039999999999999 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.430000000000007 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.552 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.319999999999993 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 60.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.130000000000003 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.887 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 61.200000000000003 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 64.150000000000006 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' THR . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 63.100000000000001 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.815 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.588 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.439999999999998 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.450000000000003 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 71.239999999999995 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 73.150000000000006 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.049999999999997 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 71.140000000000001 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.691 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 63.009999999999998 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.340000000000003 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.219999999999999 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG13 ' OD1' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 70.310000000000002 109.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' HG13 ' A' ' 40' ' ' VAL . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 31.210000000000001 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.129999999999995 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 43.420000000000002 109.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.540000000000006 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.400000000000006 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.140000000000001 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.510000000000005 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 71.530000000000001 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.847 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.439999999999998 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.706 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.8 m-20 -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 53.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 43.450000000000003 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' CD ' ' A' ' 75' ' ' GLU . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 64.319999999999993 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.549999999999997 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.120000000000005 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 72.319999999999993 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.329999999999998 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.299999999999997 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.454 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.140000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.039999999999999 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 63.109999999999999 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.329999999999998 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 62.310000000000002 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 44.119999999999997 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.776 ' CD ' HG13 ' A' ' 58' ' ' VAL . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.271 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.523 0.201 . . . . 75.200000000000003 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.527 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.540000000000006 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.450000000000003 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.5 m-20 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.109999999999999 109.312 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 64.340000000000003 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 54.009999999999998 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.099999999999994 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.209999999999994 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.239999999999995 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.420000000000002 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.519 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 52.310000000000002 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 62.229999999999997 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 73.010000000000005 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 72.530000000000001 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 63.240000000000002 109.271 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.150000000000006 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.409999999999997 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 52.119999999999997 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 72.049999999999997 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.350000000000001 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 34.439999999999998 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.200000000000003 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 62.439999999999998 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.734 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 74.120000000000005 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 41.399999999999999 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 21.010000000000002 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.319999999999993 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.129999999999995 110.44 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 62.310000000000002 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HZ2' ' C ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 63.32 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' THR . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.269 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 61.43 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 53.409999999999997 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 60.109999999999999 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.120000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.904 HD21 HD12 ' A' ' 31' ' ' LEU . 2.7 m-20 -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.340000000000003 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 61.399999999999999 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 75' ' ' GLU . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.519999999999996 109.249 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.549999999999997 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 65.120000000000005 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 60.310000000000002 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.538 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.538 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 52.32 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' CG ' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.030000000000001 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 73.140000000000001 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 63.210000000000001 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.319999999999993 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 42.020000000000003 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.541 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.4 m-20 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.275 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.340000000000003 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.439999999999998 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 53.240000000000002 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 65.219999999999999 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 61.299999999999997 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.230000000000004 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.349999999999994 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 41.229999999999997 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 45.409999999999997 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 60.350000000000001 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 72.209999999999994 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD3' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.285 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 70.129999999999995 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 65.030000000000001 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.119999999999997 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.540000000000006 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 63.549999999999997 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.040000000000006 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 70.340000000000003 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 64.540000000000006 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.723 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.010000000000005 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' HD3' ' A' ' 23' ' ' LYS . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 63.130000000000003 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.200000000000003 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.240000000000002 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 70.239999999999995 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.450000000000003 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 31.34 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 61.439999999999998 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 54.329999999999998 110.379 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' CD ' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' THR . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 63.450000000000003 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.510000000000005 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' ' CD ' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 71.310000000000002 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.340000000000003 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.400000000000006 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.299999999999997 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 75' ' ' GLU . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.120000000000005 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 44.530000000000001 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.797 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.329999999999998 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 43.130000000000003 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.404 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 43.329999999999998 110.421 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 71.150000000000006 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.150000000000006 110.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.485 0.184 . . . . 73.340000000000003 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 63.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 73.310000000000002 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.51 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.4 m-20 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.450000000000003 109.252 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.540000000000006 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 62.420000000000002 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.030000000000001 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 54.140000000000001 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.310000000000002 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.340000000000003 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 70.319999999999993 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 62.32 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 52.450000000000003 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.200000000000003 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 65.409999999999997 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.819 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.549999999999997 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.536 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 62.530000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 53.130000000000003 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 51.450000000000003 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 54.439999999999998 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 54.549999999999997 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.219999999999999 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.886 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 44.530000000000001 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 23' ' ' LYS . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 71.129999999999995 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.030000000000001 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.530000000000001 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 72.25 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 39' ' ' ALA . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.130000000000003 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 62.329999999999998 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 62.509999999999998 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 61.200000000000003 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 70.340000000000003 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.584 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.6 m-20 -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 54.530000000000001 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 74.120000000000005 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.615 HG13 ' HG3' ' A' ' 75' ' ' GLU . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.329999999999998 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.219999999999999 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.230000000000004 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.439999999999998 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 71.099999999999994 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 52.43 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.120000000000005 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.229999999999997 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.329999999999998 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 61.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.120000000000005 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 54.009999999999998 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 70.439999999999998 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.615 ' HG3' HG13 ' A' ' 58' ' ' VAL . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.501 0.191 . . . . 74.239999999999995 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.239999999999995 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 72.150000000000006 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.51 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 2.9 m-20 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 51.210000000000001 109.283 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.329999999999998 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 42.399999999999999 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.530000000000001 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.040000000000006 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.51 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.319999999999993 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.963 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 63.32 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 63.299999999999997 109.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.809 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 70' ' ' THR . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.450000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 73.340000000000003 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.150000000000006 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.450000000000003 109.296 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 70.209999999999994 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.439999999999998 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 70.409999999999997 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.409999999999997 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 55.399999999999999 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.030000000000001 109.254 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.340000000000003 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' CB ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 62.109999999999999 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 61.109999999999999 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.409999999999997 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.549999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 63.409999999999997 109.333 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.310000000000002 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 52.310000000000002 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.219999999999999 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.150000000000006 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.549999999999997 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 63.439999999999998 110.439 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' THR . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.430000000000007 111.031 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 35.240000000000002 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 61.240000000000002 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 25' ' ' ILE . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.389 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 63.229999999999997 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.039999999999999 110.371 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 45.210000000000001 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 110.286 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.515 0.197 . . . . 72.019999999999996 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.329999999999998 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.402 ' OD1' ' CD ' ' A' ' 15' ' ' GLU . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.420000000000002 109.988 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.0 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.539999999999999 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 63.439999999999998 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.439999999999998 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.409999999999997 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.129999999999995 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.328 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.439999999999998 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 71.010000000000005 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.439999999999998 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.539 ' H ' HG22 ' A' ' 19' ' ' THR . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 61.549999999999997 110.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 72.349999999999994 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 60.229999999999997 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HG22 ' A' ' 36' ' ' THR . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 65.349999999999994 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.409999999999997 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.219999999999999 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.010000000000005 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 71.219999999999999 109.307 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.099999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 43.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.099999999999994 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 53.409999999999997 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.450000000000003 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 71.209999999999994 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 64.200000000000003 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 54.200000000000003 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 61.210000000000001 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.129999999999995 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 42.130000000000003 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 52.229999999999997 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 70.230000000000004 109.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 53.219999999999999 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG13 ' HG3' ' A' ' 75' ' ' GLU . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 65.219999999999999 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.319999999999993 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.329999999999998 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 61.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.329999999999998 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.569 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 62.439999999999998 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HG3' HG13 ' A' ' 58' ' ' VAL . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.049999999999997 110.32 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 71.409999999999997 111.024 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.84 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 50.539999999999999 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 62.340000000000003 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.210000000000001 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.539 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 4.2 m-20 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.292 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.230000000000004 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 71.109999999999999 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.120000000000005 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.150000000000006 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.200000000000003 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.109999999999999 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.539 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.049999999999997 110.284 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 61.539999999999999 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.84 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.230000000000004 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 70.319999999999993 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 60.450000000000003 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 71.219999999999999 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.817 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 64.400000000000006 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 63.039999999999999 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 65.239999999999995 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 70.420000000000002 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 32.020000000000003 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.430000000000007 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.450000000000003 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 71.349999999999994 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 62.43 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.694 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 65.430000000000007 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 61.32 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 54.119999999999997 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 64.299999999999997 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.009999999999998 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 63.539999999999999 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.400000000000006 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 72.400000000000006 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.661 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.040000000000006 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 63.310000000000002 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 44' ' ' THR . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.319999999999993 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 110.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 71.430000000000007 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.420000000000002 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.43 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.512 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 70.299999999999997 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 55.32 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 53.399999999999999 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 32.219999999999999 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 54.210000000000001 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.430000000000007 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.129999999999995 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 70.150000000000006 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 64.5 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 50.130000000000003 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.310000000000002 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 65.209999999999994 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 54.450000000000003 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.233 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.5 0.191 . . . . 62.439999999999998 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 63.25 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.439999999999998 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 55.009999999999998 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.482 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.5 m-20 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.29 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 55.509999999999998 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.010000000000005 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 45.32 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.450000000000003 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.040000000000006 110.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 42.240000000000002 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 41.340000000000003 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.549999999999997 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 52.109999999999999 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 25' ' ' ILE . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.420000000000002 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 23' ' ' LYS . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 54.450000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.030000000000001 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 71.239999999999995 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 62.130000000000003 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.430000000000007 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.030000000000001 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 65.430000000000007 110.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 65.430000000000007 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.140000000000001 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.927 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.400000000000006 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.310000000000002 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.030000000000001 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 63.439999999999998 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.430000000000007 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.099999999999994 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.230000000000004 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.409999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.58 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.549999999999997 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.109999999999999 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 64.319999999999993 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.563 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.6 m-20 -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.340000000000003 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.895 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.409999999999997 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.209999999999994 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 74.319999999999993 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.439999999999998 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.382 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.340000000000003 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.120000000000005 110.427 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.099999999999994 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 71.25 110.381 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.150000000000006 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.895 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 52.310000000000002 110.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.501 0.191 . . . . 64.25 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.539999999999999 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.530000000000001 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.541 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 5.7 m-20 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 52.509999999999998 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.099999999999994 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.009999999999998 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.81 ' C ' HD21 ' A' ' 16' ' ' LEU . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.430000000000007 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.541 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 60.450000000000003 110.339 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.230000000000004 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 39' ' ' ALA . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 74.349999999999994 110.429 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.109999999999999 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HD2' HD11 ' A' ' 25' ' ' ILE . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 61.409999999999997 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 54.409999999999997 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.624 HD11 ' HD2' ' A' ' 23' ' ' LYS . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 65.120000000000005 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 40.420000000000002 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 72.510000000000005 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 72.450000000000003 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.876 HD12 HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.040000000000006 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 53.399999999999999 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 61.039999999999999 109.332 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.200000000000003 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB1' ' HZ1' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.120000000000005 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 54.439999999999998 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 44.420000000000002 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 62.340000000000003 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HZ1' ' HB1' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 63.140000000000001 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.130000000000003 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 54.039999999999999 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.82 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.420000000000002 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.210000000000001 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 64.25 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.876 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 m-20 -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.030000000000001 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG13 ' CG ' ' A' ' 75' ' ' GLU . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.319999999999993 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 32.200000000000003 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.040000000000006 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.350000000000001 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.450000000000003 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 51.039999999999999 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 52.409999999999997 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 66' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.504 ' HB ' HG23 ' A' ' 68' ' ' THR . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.340000000000003 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.32 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.540000000000006 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.539999999999999 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 110.263 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 74.040000000000006 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 73.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.329999999999998 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.229999999999997 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.517 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.1 m-20 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 51.140000000000001 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.823 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.010000000000005 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.823 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.329999999999998 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.239999999999995 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.310000000000002 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 72.140000000000001 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.517 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 62.439999999999998 110.291 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 30.530000000000001 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 42.530000000000001 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.200000000000003 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 55.219999999999999 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.692 ' N ' HD22 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 62.119999999999997 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.329999999999998 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.319999999999993 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 74.209999999999994 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 44.450000000000003 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.230000000000004 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.549999999999997 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.209999999999994 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.779 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 51.130000000000003 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.409999999999997 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.310000000000002 109.284 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.120000000000005 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.319999999999993 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.540000000000006 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.349999999999994 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 70.349999999999994 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.030000000000001 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 44' ' ' THR . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 65.430000000000007 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 63.140000000000001 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.779 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.340000000000003 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.549999999999997 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.75 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 70.099999999999994 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 54.200000000000003 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 75' ' ' GLU . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 51.219999999999999 109.266 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 60.530000000000001 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.109999999999999 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.030000000000001 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 62.020000000000003 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 71.200000000000003 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 54.200000000000003 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.387 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.310000000000002 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 51.439999999999998 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.439999999999998 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.56 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 61.049999999999997 111.003 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.881 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.109999999999999 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 55.119999999999997 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 50.329999999999998 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.546 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 5.2 m-20 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 70.540000000000006 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 71.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 64.099999999999994 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 55.350000000000001 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 71.040000000000006 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.530000000000001 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.349999999999994 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 63.450000000000003 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.881 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 62.409999999999997 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 25' ' ' ILE . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 23' ' ' LYS . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.420000000000002 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.285 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 43.219999999999999 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.439999999999998 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 61.049999999999997 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 71.049999999999997 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.329999999999998 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 62.310000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.109999999999999 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 70.120000000000005 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 52.240000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 44' ' ' THR . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.65 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.129999999999995 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.129999999999995 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 52.539999999999999 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.519999999999996 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.699 HD21 ' HG ' ' A' ' 31' ' ' LEU . 2.7 m-20 -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 62.539999999999999 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 75' ' ' GLU . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.019999999999996 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.219999999999999 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.430000000000007 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 52.030000000000001 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.329999999999998 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 43.229999999999997 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 61.420000000000002 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 68' ' ' THR . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 40.450000000000003 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.605 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.509 0.195 . . . . 64.239999999999995 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.556 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 51.25 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.319999999999993 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 5.9 m-20 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.420000000000002 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.3 t-20 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 52.539999999999999 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.120000000000005 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.400000000000006 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.219999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 4' ' ' ASP . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.209999999999994 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 53.219999999999999 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 64.209999999999994 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.129999999999995 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.467 ' H ' HG22 ' A' ' 19' ' ' THR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 61.32 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.48 ' N ' HD22 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 63.310000000000002 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 61.140000000000001 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 72.109999999999999 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 51.100000000000001 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 62.140000000000001 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 63.25 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.852 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 70.209999999999994 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 41.539999999999999 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 64.239999999999995 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 1.0 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 62.409999999999997 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 65.109999999999999 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 32.25 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.299999999999997 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 51.329999999999998 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.0 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 52.420000000000002 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 73.430000000000007 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.200000000000003 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.109999999999999 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 64.409999999999997 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 72.319999999999993 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.852 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 73.109999999999999 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.209999999999994 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 60.32 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.517 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.5 m-20 -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 64.230000000000004 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.430000000000007 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 75' ' ' GLU . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 61.439999999999998 109.255 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 64.409999999999997 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 73.209999999999994 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 72.450000000000003 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 52.420000000000002 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.210000000000001 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 62.109999999999999 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.149999999999999 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.519999999999996 110.411 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 63.329999999999998 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 65.049999999999997 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 110.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.497 0.189 . . . . 73.200000000000003 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 64.5 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.120000000000005 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.531 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.3 m-20 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.299999999999997 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.2 t-20 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.219999999999999 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.502 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.019999999999996 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 31.350000000000001 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.109999999999999 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 44.210000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 64.209999999999994 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.531 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 71.349999999999994 110.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.439999999999998 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.420000000000002 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.239999999999995 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 54.509999999999998 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.510000000000005 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 62.420000000000002 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.719 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 44.229999999999997 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.239999999999995 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.349999999999994 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.109999999999999 109.34 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 54.229999999999997 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 62.539999999999999 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.209999999999994 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.219999999999999 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 63.200000000000003 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.109999999999999 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.596 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 63.450000000000003 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.549999999999997 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.400000000000006 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' VAL . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.340000000000003 110.389 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 44.100000000000001 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 44' ' ' THR . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 73.219999999999999 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 62.009999999999998 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 51.210000000000001 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 60.420000000000002 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.099999999999994 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.597 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.549999999999997 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.229999999999997 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 54.030000000000001 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.409999999999997 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.647 ' HH2' ' HB3' ' A' ' 53' ' ' ALA . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.349999999999994 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.409999999999997 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 72.120000000000005 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 70.219999999999999 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 70.120000000000005 110.401 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.450000000000003 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.409999999999997 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' CG ' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.308 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.553 0.216 . . . . 75.340000000000003 110.981 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.519999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 62.020000000000003 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 50.109999999999999 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.55 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 6.1 m-20 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.29 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.319999999999993 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 44.530000000000001 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.757 ' C ' HD21 ' A' ' 16' ' ' LEU . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.010000000000005 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 71.230000000000004 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.219999999999999 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.109999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.55 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.230000000000004 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.757 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 60.420000000000002 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.482 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.549999999999997 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 51.509999999999998 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 70' ' ' THR . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 61.409999999999997 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.775 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 62.149999999999999 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' N ' HD22 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 53.240000000000002 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 70.310000000000002 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 53.539999999999999 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.329999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 63.210000000000001 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 51.219999999999999 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.918 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.299999999999997 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 71.219999999999999 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 70.430000000000007 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.310000000000002 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.349999999999994 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 53.020000000000003 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 110.372 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 74.420000000000002 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 42.420000000000002 109.243 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 51.030000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 44.240000000000002 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.772 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.886 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.450000000000003 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.209999999999994 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 65.519999999999996 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.400000000000006 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.530000000000001 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 62.43 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.140000000000001 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 55.310000000000002 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 65.530000000000001 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.030000000000001 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 23' ' ' LYS . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.549999999999997 110.443 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.310000000000002 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 40.25 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 64.140000000000001 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.886 ' CD ' HG13 ' A' ' 58' ' ' VAL . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.494 0.188 . . . . 64.430000000000007 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.430000000000007 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.019999999999996 109.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.540000000000006 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.536 ' ND2' ' OE2' ' A' ' 15' ' ' GLU . 4.2 m-20 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 62.240000000000002 109.318 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.230000000000004 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.430000000000007 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 60.229999999999997 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.239999999999995 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 72.329999999999998 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 64.209999999999994 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.536 ' OE2' ' ND2' ' A' ' 6' ' ' ASN . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 55.310000000000002 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 71.400000000000006 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 39' ' ' ALA . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 73.329999999999998 110.373 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' HD11 ' A' ' 25' ' ' ILE . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.209999999999994 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.049999999999997 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.6 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.219999999999999 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.200000000000003 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 70.129999999999995 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.340000000000003 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 54.43 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.622 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 65.329999999999998 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.439999999999998 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.909 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 40' ' ' VAL . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.140000000000001 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.909 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 45.450000000000003 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.430000000000007 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 61.329999999999998 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.319999999999993 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.622 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 54.329999999999998 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.696 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.409999999999997 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.109999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 53.119999999999997 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 61.009999999999998 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.439999999999998 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.140000000000001 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.340000000000003 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 73.230000000000004 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.533 HG21 ' HE3' ' A' ' 23' ' ' LYS . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.030000000000001 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.219999999999999 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 110.263 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.509 0.195 . . . . 72.230000000000004 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 1.036 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 62.340000000000003 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.409999999999997 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 5.6 m-20 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 54.149999999999999 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 54.020000000000003 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.603 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 45.130000000000003 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.299999999999997 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.450000000000003 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.439999999999998 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.287 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 62.240000000000002 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 1.036 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 71.109999999999999 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 70.450000000000003 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.010000000000005 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.219999999999999 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 71.519999999999996 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 54.439999999999998 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 54.509999999999998 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.349999999999994 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 35' ' ' THR . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 51.119999999999997 110.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.77 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.240000000000002 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.539999999999999 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.951 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.400000000000006 109.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 33.310000000000002 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.349999999999994 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.951 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 55.140000000000001 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.209999999999994 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 74.319999999999993 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.77 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 61.409999999999997 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.776 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.409999999999997 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 62.420000000000002 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.759 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 62.310000000000002 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.539999999999999 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 75' ' ' GLU . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.019999999999996 109.303 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.329999999999998 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TRP . . . . . 0.776 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 52.340000000000003 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 63.509999999999998 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 63.210000000000001 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 65.340000000000003 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 110.391 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 63.5 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 34.329999999999998 108.256 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 -111.06 153.08 26.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 65.230000000000004 111.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.539 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 53.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.399999999999999 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.219999999999999 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 m120 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.230000000000004 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.69 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.439999999999998 109.248 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 60.240000000000002 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.69 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.349999999999994 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 65.109999999999999 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 72.200000000000003 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.439999999999998 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 70.230000000000004 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 60.350000000000001 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.030000000000001 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 72.019999999999996 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.120000000000005 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 54.310000000000002 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.209999999999994 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.329999999999998 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 43.229999999999997 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' N ' HD22 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 52.210000000000001 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.200000000000003 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.510000000000005 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 72.140000000000001 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.400000000000006 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 71.030000000000001 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 22.210000000000001 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 64.5 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.219999999999999 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 23' ' ' LYS . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.130000000000003 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 61.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.299999999999997 108.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 41.530000000000001 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.540000000000006 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.239999999999995 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.409999999999997 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 51.219999999999999 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.450000000000003 110.387 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.540000000000006 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.409999999999997 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.430000000000007 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' THR . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.109999999999999 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 70.310000000000002 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.140000000000001 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.319999999999993 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.340000000000003 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 52.210000000000001 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.692 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.040000000000006 109.277 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.439999999999998 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 65.349999999999994 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.209999999999994 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.230000000000004 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.230000000000004 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.420000000000002 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.239999999999995 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.329999999999998 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.140000000000001 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.299999999999997 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.535 HG23 ' HB ' ' A' ' 70' ' ' THR . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 62.109999999999999 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.140000000000001 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.535 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 44.109999999999999 110.356 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 71.409999999999997 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.340000000000003 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 70.140000000000001 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 64.239999999999995 110.351 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.293 -1.003 . . . . 71.420000000000002 108.293 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 -61.74 163.41 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 70.129999999999995 111.02 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.912 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.519999999999996 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 61.100000000000001 109.978 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.3 t-20 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 65.420000000000002 109.278 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.120000000000005 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 41.149999999999999 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 62.350000000000001 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 63.149999999999999 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.109999999999999 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 60.450000000000003 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.099999999999994 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 53.240000000000002 110.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.209999999999994 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 63.229999999999997 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 50.020000000000003 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.912 HG21 ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.129999999999995 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.430000000000007 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 52.439999999999998 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.329999999999998 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' CG ' HG22 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.230000000000004 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.25 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 70' ' ' THR . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.540000000000006 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 64.400000000000006 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.109999999999999 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.310000000000002 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.530000000000001 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.109999999999999 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.150000000000006 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.409999999999997 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.625 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 23' ' ' LYS . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 61.109999999999999 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.140000000000001 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.010000000000005 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 72.109999999999999 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 62.140000000000001 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 50.409999999999997 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.540000000000006 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.219999999999999 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.430000000000007 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.439999999999998 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.140000000000001 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 53.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.420000000000002 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 72.299999999999997 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.430000000000007 110.298 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.510000000000005 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.209999999999994 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.310000000000002 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.340000000000003 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.763 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.340000000000003 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 63.219999999999999 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.819 HG13 ' CD ' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 70.200000000000003 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 53.130000000000003 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.777 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 73.150000000000006 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.439999999999998 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.439999999999998 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 53.299999999999997 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.230000000000004 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.540000000000006 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 65.140000000000001 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 23' ' ' LYS . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.329999999999998 110.431 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.439999999999998 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.219999999999999 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.819 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 51.340000000000003 110.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.289 -1.004 . . . . 54.130000000000003 108.289 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 -114.95 156.51 24.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 64.430000000000007 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.575 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.420000000000002 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.530000000000001 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 51.299999999999997 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 45.140000000000001 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.409999999999997 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.129999999999995 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 55.32 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.409999999999997 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.510000000000005 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 72.430000000000007 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 70.129999999999995 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 53.049999999999997 110.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.299999999999997 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.130000000000003 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.049999999999997 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 71.299999999999997 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.448 ' H ' HG22 ' A' ' 19' ' ' THR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.319999999999993 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.200000000000003 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.530000000000001 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.030000000000001 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' HD22 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 62.009999999999998 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.040000000000006 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.230000000000004 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 74.109999999999999 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 62.310000000000002 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.200000000000003 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 61.530000000000001 109.283 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 44.140000000000001 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 35' ' ' THR . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 73.299999999999997 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.715 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.219999999999999 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.430000000000007 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.200000000000003 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.340000000000003 108.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.120000000000005 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 71.049999999999997 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.420000000000002 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.030000000000001 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.210000000000001 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.340000000000003 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 43.119999999999997 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.420000000000002 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.219999999999999 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 64.430000000000007 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 54.32 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.430000000000007 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.329999999999998 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.540000000000006 109.31 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.853 HG13 ' CD ' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.420000000000002 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 55.030000000000001 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 63.229999999999997 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.530000000000001 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 72.439999999999998 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 70.209999999999994 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 63.32 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.120000000000005 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 71.150000000000006 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.510000000000005 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.239999999999995 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.349999999999994 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.109999999999999 110.369 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 63.420000000000002 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.200000000000003 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.853 ' CD ' HG13 ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.109999999999999 110.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.324 -0.991 . . . . 73.540000000000006 108.324 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 -61.92 163.13 8.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 75.400000000000006 111.03 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 71.400000000000006 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.140000000000001 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.140000000000001 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.209999999999994 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.130000000000003 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 32.030000000000001 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.540000000000006 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.140000000000001 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 41.310000000000002 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 63.039999999999999 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.400000000000006 110.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.509999999999998 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 51.109999999999999 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 61.509999999999998 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 39' ' ' ALA . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.109999999999999 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.030000000000001 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.219999999999999 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.109999999999999 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD11 ' HD2' ' A' ' 23' ' ' LYS . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 55.25 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.310000000000002 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.209999999999994 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 60.229999999999997 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 51.310000000000002 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.614 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.329999999999998 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 72.239999999999995 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 52.210000000000001 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.209999999999994 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.400000000000006 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 23' ' ' LYS . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.420000000000002 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 43.439999999999998 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.400000000000006 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 31.32 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 44.350000000000001 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.510000000000005 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.140000000000001 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.140000000000001 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.329999999999998 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.340000000000003 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 44' ' ' THR . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 54.32 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.109999999999999 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.510000000000005 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 61.539999999999999 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.200000000000003 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 62.420000000000002 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.109999999999999 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.751 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.530000000000001 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.25 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 54.399999999999999 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.049999999999997 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.040000000000006 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.756 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.129999999999995 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.230000000000004 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 72.530000000000001 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 64.420000000000002 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.573 HG23 ' HB ' ' A' ' 70' ' ' THR . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 65.409999999999997 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.239999999999995 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.573 ' HB ' HG23 ' A' ' 68' ' ' THR . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 72.420000000000002 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 65.230000000000004 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 71.400000000000006 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 62.119999999999997 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 72.040000000000006 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.109999999999999 110.31 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.308 -0.997 . . . . 41.399999999999999 108.308 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 -107.93 140.78 40.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 110.993 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.887 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 70.329999999999998 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.409999999999997 109.977 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.409999999999997 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.430000000000007 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.210000000000001 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.795 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 31.030000000000001 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.795 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.109999999999999 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.230000000000004 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.120000000000005 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 60.039999999999999 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.430000000000007 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.319999999999993 110.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 60.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.130000000000003 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.409999999999997 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.887 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 61.200000000000003 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 64.150000000000006 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.109999999999999 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' THR . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 63.100000000000001 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.815 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.588 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.310000000000002 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.439999999999998 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.450000000000003 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 71.239999999999995 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 73.150000000000006 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.049999999999997 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.349999999999994 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 71.140000000000001 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.691 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 63.009999999999998 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.430000000000007 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.340000000000003 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.219999999999999 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG13 ' OD1' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 70.310000000000002 109.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' HG13 ' A' ' 40' ' ' VAL . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.439999999999998 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 31.210000000000001 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.129999999999995 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 43.420000000000002 109.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.540000000000006 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 74.329999999999998 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.400000000000006 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.140000000000001 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.129999999999995 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.510000000000005 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 71.530000000000001 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.847 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.439999999999998 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.230000000000004 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.706 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.8 m-20 -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 53.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 43.450000000000003 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' CD ' ' A' ' 75' ' ' GLU . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 64.319999999999993 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.010000000000005 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.549999999999997 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.120000000000005 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 72.319999999999993 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 72.099999999999994 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.420000000000002 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.329999999999998 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.299999999999997 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.454 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.140000000000001 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.039999999999999 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 63.109999999999999 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.329999999999998 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 62.310000000000002 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 44.119999999999997 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.776 ' CD ' HG13 ' A' ' 58' ' ' VAL . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.271 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.254 -1.017 . . . . 73.219999999999999 108.254 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 -61.87 166.2 4.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 75.200000000000003 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.540000000000006 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.450000000000003 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.109999999999999 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.240000000000002 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 64.340000000000003 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 54.009999999999998 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.099999999999994 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.209999999999994 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.119999999999997 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.239999999999995 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.420000000000002 110.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 64.239999999999995 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 52.310000000000002 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 62.229999999999997 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 73.010000000000005 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 72.530000000000001 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.150000000000006 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.530000000000001 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 63.240000000000002 109.271 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.120000000000005 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.150000000000006 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.409999999999997 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 52.119999999999997 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 72.049999999999997 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.140000000000001 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.350000000000001 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.219999999999999 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 34.439999999999998 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.200000000000003 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 62.439999999999998 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.734 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 74.120000000000005 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.409999999999997 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 41.399999999999999 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.209999999999994 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.230000000000004 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 21.010000000000002 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.319999999999993 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.129999999999995 110.44 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 62.310000000000002 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HZ2' ' C ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 63.32 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' THR . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.269 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.109999999999999 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 61.43 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 53.409999999999997 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 60.109999999999999 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.510000000000005 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.120000000000005 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.904 HD21 HD12 ' A' ' 31' ' ' LEU . 2.7 m-20 -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.340000000000003 109.275 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 61.399999999999999 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 75' ' ' GLU . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.519999999999996 109.249 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.219999999999999 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.549999999999997 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 65.120000000000005 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.109999999999999 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 62.439999999999998 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 60.310000000000002 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.239999999999995 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.219999999999999 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.538 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.040000000000006 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.538 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.430000000000007 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 52.32 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' CG ' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.030000000000001 110.326 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.299 -1.0 . . . . 65.420000000000002 108.299 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 -61.7 162.45 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 73.140000000000001 111.026 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 63.210000000000001 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.319999999999993 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 42.020000000000003 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.329999999999998 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.340000000000003 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.439999999999998 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 53.240000000000002 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.049999999999997 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 65.219999999999999 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 61.299999999999997 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.230000000000004 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.349999999999994 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 41.229999999999997 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 45.409999999999997 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 60.350000000000001 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.019999999999996 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 72.209999999999994 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD3' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.219999999999999 109.285 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.049999999999997 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 70.129999999999995 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 65.030000000000001 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.119999999999997 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.540000000000006 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 63.549999999999997 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.129999999999995 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.040000000000006 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 70.340000000000003 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 64.099999999999994 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 64.540000000000006 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.723 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.010000000000005 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' HD3' ' A' ' 23' ' ' LYS . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 63.130000000000003 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.200000000000003 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.240000000000002 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 70.239999999999995 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.450000000000003 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 31.34 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 61.439999999999998 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 54.329999999999998 110.379 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.530000000000001 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' CD ' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.140000000000001 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' THR . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 63.450000000000003 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.510000000000005 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' ' CD ' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.310000000000002 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 71.310000000000002 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.340000000000003 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.340000000000003 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.439999999999998 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.400000000000006 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.745 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.299999999999997 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 75' ' ' GLU . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.120000000000005 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.430000000000007 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 44.530000000000001 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.797 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.239999999999995 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.420000000000002 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.329999999999998 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 43.130000000000003 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.140000000000001 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.030000000000001 110.404 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.519999999999996 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 43.329999999999998 110.421 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 71.150000000000006 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.150000000000006 110.307 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.293 -1.003 . . . . 71.409999999999997 108.293 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 -61.65 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 73.340000000000003 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 63.420000000000002 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 73.310000000000002 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.230000000000004 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.450000000000003 109.252 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.540000000000006 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 62.420000000000002 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.030000000000001 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 54.140000000000001 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 72.030000000000001 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.420000000000002 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.140000000000001 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.310000000000002 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.409999999999997 110.297 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.340000000000003 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 70.319999999999993 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 62.32 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 52.450000000000003 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.200000000000003 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 64.030000000000001 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 65.409999999999997 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.819 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.549999999999997 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.536 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 62.530000000000001 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 72.400000000000006 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 53.130000000000003 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 51.450000000000003 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 54.439999999999998 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 64.140000000000001 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.349999999999994 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 54.549999999999997 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.219999999999999 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.886 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 44.530000000000001 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 23' ' ' LYS . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.409999999999997 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 71.129999999999995 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.030000000000001 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.530000000000001 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 72.25 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 61.420000000000002 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 39' ' ' ALA . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.130000000000003 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.040000000000006 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 62.329999999999998 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.319999999999993 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 62.509999999999998 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.420000000000002 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.430000000000007 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 61.200000000000003 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 70.340000000000003 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.239999999999995 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.584 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.6 m-20 -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 54.530000000000001 109.283 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 74.120000000000005 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.615 HG13 ' HG3' ' A' ' 75' ' ' GLU . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.329999999999998 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.219999999999999 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.230000000000004 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.439999999999998 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 71.099999999999994 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 52.43 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.120000000000005 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.229999999999997 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 63.310000000000002 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.209999999999994 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.329999999999998 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 61.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.120000000000005 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 54.009999999999998 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 70.439999999999998 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.439999999999998 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.615 ' HG3' HG13 ' A' ' 58' ' ' VAL . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.400000000000006 110.261 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.294 -1.002 . . . . 61.140000000000001 108.294 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 -106.98 152.27 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 74.239999999999995 111.011 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.239999999999995 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 72.150000000000006 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 51.210000000000001 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.510000000000005 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.329999999999998 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 42.399999999999999 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.530000000000001 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.319999999999993 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.540000000000006 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.340000000000003 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.040000000000006 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 63.340000000000003 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.120000000000005 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.319999999999993 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.963 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 63.32 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.409999999999997 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 71.140000000000001 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 63.299999999999997 109.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.809 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.310000000000002 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 70' ' ' THR . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.450000000000003 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 73.340000000000003 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.409999999999997 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.120000000000005 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.319999999999993 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.150000000000006 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.508 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.450000000000003 109.296 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 72.129999999999995 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 61.210000000000001 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 70.209999999999994 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.439999999999998 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 70.409999999999997 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.450000000000003 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.420000000000002 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.409999999999997 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.349999999999994 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 55.399999999999999 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.310000000000002 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 72.310000000000002 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.030000000000001 109.254 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.340000000000003 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' CB ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.409999999999997 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 62.109999999999999 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 73.219999999999999 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 61.109999999999999 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.329999999999998 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.129999999999995 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.409999999999997 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.549999999999997 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.508 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 63.409999999999997 109.333 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.519999999999996 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.310000000000002 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 52.310000000000002 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.219999999999999 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.150000000000006 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.549999999999997 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 63.439999999999998 110.439 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' THR . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.430000000000007 111.031 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 35.240000000000002 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.129999999999995 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 61.240000000000002 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.099999999999994 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 25' ' ' ILE . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.409999999999997 110.389 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 63.229999999999997 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.039999999999999 110.371 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 45.210000000000001 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.129999999999995 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.299999999999997 110.286 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.245 -1.02 . . . . 63.43 108.245 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 -61.89 153.25 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 110.965 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.329999999999998 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.420000000000002 109.988 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.0 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.109999999999999 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.539999999999999 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.209999999999994 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 63.439999999999998 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.439999999999998 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 74.340000000000003 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.409999999999997 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.129999999999995 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.310000000000002 110.328 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.519999999999996 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.439999999999998 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 71.010000000000005 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.439999999999998 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.539 ' H ' HG22 ' A' ' 19' ' ' THR . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 61.549999999999997 110.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 72.349999999999994 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 60.229999999999997 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HG22 ' A' ' 36' ' ' THR . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 65.349999999999994 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.239999999999995 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.409999999999997 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.219999999999999 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.010000000000005 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 71.219999999999999 109.307 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.099999999999994 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 43.340000000000003 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.099999999999994 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 53.409999999999997 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.450000000000003 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 71.209999999999994 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 73.400000000000006 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.109999999999999 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.400000000000006 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 64.200000000000003 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' NZ ' ' HA ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 54.200000000000003 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 61.210000000000001 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.230000000000004 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.230000000000004 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.129999999999995 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 42.130000000000003 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 52.229999999999997 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.129999999999995 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.442 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 70.230000000000004 109.289 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 53.219999999999999 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG13 ' HG3' ' A' ' 75' ' ' GLU . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.400000000000006 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.420000000000002 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.310000000000002 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 65.219999999999999 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.319999999999993 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.340000000000003 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.329999999999998 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 61.340000000000003 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.219999999999999 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.329999999999998 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 70.209999999999994 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.569 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 62.439999999999998 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 64.340000000000003 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HG3' HG13 ' A' ' 58' ' ' VAL . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.049999999999997 110.32 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.31 -0.996 . . . . 72.299999999999997 108.31 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 -106.99 150.8 26.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 71.409999999999997 111.024 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.84 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 50.539999999999999 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 62.340000000000003 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.210000000000001 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 109.292 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.230000000000004 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 71.109999999999999 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.120000000000005 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.150000000000006 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.519999999999996 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.200000000000003 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.040000000000006 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.109999999999999 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.049999999999997 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 61.539999999999999 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.010000000000005 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.84 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.230000000000004 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.109999999999999 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 70.319999999999993 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 60.450000000000003 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 71.219999999999999 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.817 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 64.400000000000006 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 63.039999999999999 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 65.239999999999995 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 70.420000000000002 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 32.020000000000003 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.430000000000007 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.450000000000003 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.329999999999998 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.420000000000002 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 71.349999999999994 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 62.43 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.694 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.140000000000001 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 65.430000000000007 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.310000000000002 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 61.32 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 54.119999999999997 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 64.299999999999997 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.009999999999998 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 63.539999999999999 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.400000000000006 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 72.400000000000006 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.661 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.439999999999998 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.040000000000006 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 63.310000000000002 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 44' ' ' THR . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.209999999999994 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.129999999999995 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.319999999999993 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.200000000000003 110.315 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 71.430000000000007 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.420000000000002 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.43 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.512 ' ND2' ' HG ' ' A' ' 31' ' ' LEU . 2.6 m-20 -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 70.299999999999997 109.281 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 55.32 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 53.399999999999999 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.219999999999999 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 32.219999999999999 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 54.210000000000001 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.430000000000007 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.129999999999995 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.430000000000007 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 70.150000000000006 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 64.5 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 50.130000000000003 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.349999999999994 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.310000000000002 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.140000000000001 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.400000000000006 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 65.209999999999994 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 54.450000000000003 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 71.219999999999999 110.233 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.312 -0.995 . . . . 62.350000000000001 108.312 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 -61.78 162.3 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 62.439999999999998 111.016 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 63.25 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.439999999999998 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 55.009999999999998 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 62.509999999999998 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 55.509999999999998 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.329999999999998 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.010000000000005 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.310000000000002 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.519999999999996 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 45.32 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.450000000000003 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.040000000000006 110.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.420000000000002 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 42.240000000000002 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 41.340000000000003 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.549999999999997 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 52.109999999999999 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.239999999999995 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.329999999999998 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 25' ' ' ILE . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 74.450000000000003 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.420000000000002 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 23' ' ' LYS . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 54.450000000000003 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.230000000000004 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.120000000000005 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.030000000000001 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.310000000000002 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 71.239999999999995 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.505 ' HG ' ' ND2' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 62.130000000000003 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.430000000000007 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.030000000000001 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 65.430000000000007 110.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.010000000000005 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 65.430000000000007 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.140000000000001 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.200000000000003 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.927 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 72.129999999999995 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.400000000000006 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.129999999999995 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.310000000000002 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.030000000000001 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.120000000000005 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 63.439999999999998 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.430000000000007 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.099999999999994 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.230000000000004 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.109999999999999 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.409999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.310000000000002 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.58 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.549999999999997 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.109999999999999 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 64.319999999999993 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.319999999999993 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.563 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.6 m-20 -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 109.289 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.340000000000003 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.895 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.409999999999997 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.240000000000002 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.209999999999994 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 74.319999999999993 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.310000000000002 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.439999999999998 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.409999999999997 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.239999999999995 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.109999999999999 110.382 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.340000000000003 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.120000000000005 110.427 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.099999999999994 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 71.25 110.381 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.239999999999995 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.150000000000006 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.895 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 52.310000000000002 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.285 -1.006 . . . . 70.010000000000005 108.285 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 -61.64 169.04 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 64.25 110.988 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.539999999999999 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.530000000000001 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.420000000000002 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 52.509999999999998 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.099999999999994 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.009999999999998 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.439999999999998 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.81 ' C ' HD21 ' A' ' 16' ' ' LEU . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.329999999999998 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.119999999999997 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.109999999999999 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.430000000000007 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 60.450000000000003 110.339 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.329999999999998 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.230000000000004 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 39' ' ' ALA . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 74.349999999999994 110.429 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.109999999999999 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HD2' HD11 ' A' ' 25' ' ' ILE . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 61.409999999999997 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 54.409999999999997 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.624 HD11 ' HD2' ' A' ' 23' ' ' LYS . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.319999999999993 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.109999999999999 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 65.120000000000005 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 40.420000000000002 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 72.510000000000005 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 72.450000000000003 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.876 HD12 HD21 ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 54.420000000000002 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.040000000000006 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.340000000000003 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.219999999999999 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.099999999999994 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 53.399999999999999 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 72.219999999999999 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.120000000000005 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 61.039999999999999 109.332 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.200000000000003 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.239999999999995 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB1' ' HZ1' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.120000000000005 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 54.439999999999998 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 44.420000000000002 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 62.340000000000003 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HZ1' ' HB1' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.230000000000004 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.329999999999998 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 63.140000000000001 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.130000000000003 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 54.039999999999999 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.82 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.420000000000002 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.210000000000001 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.549999999999997 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 64.25 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.876 HD21 HD12 ' A' ' 31' ' ' LEU . 2.6 m-20 -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.420000000000002 109.274 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.030000000000001 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG13 ' CG ' ' A' ' 75' ' ' GLU . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.319999999999993 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 32.200000000000003 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.040000000000006 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.329999999999998 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.350000000000001 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.450000000000003 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 51.039999999999999 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.329999999999998 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 52.409999999999997 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 66' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.504 ' HB ' HG23 ' A' ' 68' ' ' THR . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.340000000000003 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.32 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.099999999999994 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.540000000000006 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.539999999999999 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.530000000000001 110.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 54.130000000000003 108.303 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 -106.28 153.34 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.040000000000006 111.049 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 73.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.329999999999998 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.229999999999997 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 51.140000000000001 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.823 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.010000000000005 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.823 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.329999999999998 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.239999999999995 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.310000000000002 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.209999999999994 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 72.140000000000001 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 62.439999999999998 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 73.109999999999999 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 30.530000000000001 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 42.530000000000001 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.109999999999999 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.200000000000003 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 55.219999999999999 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.692 ' N ' HD22 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 62.119999999999997 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.329999999999998 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.319999999999993 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.310000000000002 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 74.209999999999994 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.439999999999998 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 44.450000000000003 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.230000000000004 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.549999999999997 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.209999999999994 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.779 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 51.130000000000003 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.409999999999997 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.439999999999998 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.329999999999998 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.310000000000002 109.284 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.120000000000005 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.319999999999993 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.540000000000006 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.109999999999999 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.349999999999994 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 70.349999999999994 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.030000000000001 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 44' ' ' THR . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.349999999999994 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 65.430000000000007 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.140000000000001 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 63.140000000000001 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.779 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.340000000000003 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.409999999999997 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.549999999999997 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.75 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 70.099999999999994 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 54.200000000000003 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 75' ' ' GLU . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 51.219999999999999 109.266 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 60.530000000000001 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.109999999999999 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.030000000000001 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 62.020000000000003 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.239999999999995 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.329999999999998 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 71.200000000000003 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.299999999999997 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 54.200000000000003 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.040000000000006 110.387 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.310000000000002 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 51.439999999999998 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.319999999999993 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.430000000000007 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.439999999999998 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.316 -0.994 . . . . 73.299999999999997 108.316 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.56 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 -106.88 154.2 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 61.049999999999997 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.881 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.109999999999999 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 55.119999999999997 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 50.329999999999998 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.1 m120 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 70.540000000000006 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 71.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.120000000000005 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.510000000000005 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 64.099999999999994 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.340000000000003 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.409999999999997 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 55.350000000000001 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 71.040000000000006 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.530000000000001 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.349999999999994 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 63.450000000000003 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.881 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.430000000000007 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.409999999999997 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' N ' ' CD1' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 62.409999999999997 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 25' ' ' ILE . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.200000000000003 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.409999999999997 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 23' ' ' LYS . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.420000000000002 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 72.310000000000002 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.140000000000001 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.420000000000002 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.430000000000007 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.340000000000003 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.699 ' HG ' HD21 ' A' ' 56' ' ' ASN . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.109999999999999 109.285 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 72.230000000000004 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 43.219999999999999 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.439999999999998 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 61.049999999999997 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 71.049999999999997 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.329999999999998 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.420000000000002 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 62.310000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.120000000000005 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.519999999999996 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.109999999999999 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 70.120000000000005 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 52.240000000000002 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.430000000000007 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.150000000000006 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 44' ' ' THR . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 65.310000000000002 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.310000000000002 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.439999999999998 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.65 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.129999999999995 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.129999999999995 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 52.539999999999999 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.519999999999996 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.699 HD21 ' HG ' ' A' ' 31' ' ' LEU . 2.7 m-20 -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 62.539999999999999 109.278 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.240000000000002 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 75' ' ' GLU . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.019999999999996 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.010000000000005 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.219999999999999 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.430000000000007 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 52.030000000000001 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.329999999999998 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.140000000000001 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.400000000000006 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 43.229999999999997 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 61.420000000000002 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 68' ' ' THR . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.409999999999997 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.540000000000006 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.510000000000005 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.109999999999999 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 61.299999999999997 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 40.450000000000003 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.266 -1.013 . . . . 73.519999999999996 108.266 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.605 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.4 m-85 -117.06 156.09 28.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 111.039 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.556 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 51.25 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.319999999999993 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.540000000000006 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.420000000000002 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.3 t-20 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.140000000000001 109.28 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.540000000000006 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 52.539999999999999 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.120000000000005 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.329999999999998 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.230000000000004 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.400000000000006 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.219999999999999 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.510000000000005 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.209999999999994 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 53.219999999999999 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 64.209999999999994 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.129999999999995 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.467 ' H ' HG22 ' A' ' 19' ' ' THR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 61.32 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.430000000000007 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.019999999999996 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.209999999999994 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.48 ' N ' HD22 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 63.310000000000002 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 61.140000000000001 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 72.109999999999999 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 51.100000000000001 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 62.140000000000001 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 63.25 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.852 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 70.209999999999994 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 41.539999999999999 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 64.239999999999995 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.239999999999995 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 1.0 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.040000000000006 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 62.409999999999997 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 65.109999999999999 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 32.25 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.299999999999997 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 51.329999999999998 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.0 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 52.420000000000002 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 73.430000000000007 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.200000000000003 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.109999999999999 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 64.409999999999997 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 72.319999999999993 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.852 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 73.109999999999999 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.420000000000002 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.209999999999994 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 60.32 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.517 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.5 m-20 -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 64.230000000000004 109.316 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.430000000000007 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 75' ' ' GLU . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 61.439999999999998 109.255 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 64.409999999999997 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.109999999999999 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 73.209999999999994 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 72.450000000000003 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 52.420000000000002 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.430000000000007 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.519999999999996 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.210000000000001 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 62.109999999999999 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.149999999999999 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.519999999999996 110.411 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.420000000000002 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 63.329999999999998 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.129999999999995 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 65.049999999999997 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 61.200000000000003 110.315 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.292 -1.003 . . . . 71.430000000000007 108.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 -61.82 162.66 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 73.200000000000003 111.041 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 64.5 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.120000000000005 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.239999999999995 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.299999999999997 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 2.2 t-20 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.219999999999999 109.317 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.502 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.019999999999996 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 31.350000000000001 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.409999999999997 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.109999999999999 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 44.210000000000001 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 64.209999999999994 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 71.349999999999994 110.274 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.239999999999995 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.439999999999998 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.420000000000002 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.239999999999995 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 54.509999999999998 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.340000000000003 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.510000000000005 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.200000000000003 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 62.420000000000002 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.719 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 44.229999999999997 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.200000000000003 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.239999999999995 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.340000000000003 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.349999999999994 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.109999999999999 109.34 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 54.229999999999997 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 62.539999999999999 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.209999999999994 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.219999999999999 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 63.200000000000003 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.109999999999999 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.596 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 63.450000000000003 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.549999999999997 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.400000000000006 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' VAL . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.340000000000003 110.389 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 44.100000000000001 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.209999999999994 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.420000000000002 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 44' ' ' THR . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 73.219999999999999 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 62.009999999999998 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.0 tm0? -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.340000000000003 110.317 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 51.210000000000001 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 60.420000000000002 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.099999999999994 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.597 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.430000000000007 109.257 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.549999999999997 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.229999999999997 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.549999999999997 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 54.030000000000001 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.409999999999997 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.647 ' HH2' ' HB3' ' A' ' 53' ' ' ALA . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.349999999999994 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.329999999999998 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.239999999999995 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.409999999999997 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 72.120000000000005 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.340000000000003 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.450000000000003 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 70.219999999999999 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 70.120000000000005 110.401 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 73.329999999999998 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.450000000000003 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.409999999999997 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.310000000000002 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' CG ' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.239999999999995 110.308 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.291 -1.003 . . . . 60.310000000000002 108.291 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 -110.15 160.24 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.340000000000003 110.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.519999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 62.020000000000003 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 50.109999999999999 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.219999999999999 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.319999999999993 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 44.530000000000001 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.757 ' C ' HD21 ' A' ' 16' ' ' LEU . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.010000000000005 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 71.230000000000004 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.219999999999999 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.109999999999999 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.230000000000004 110.342 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.757 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.450000000000003 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 60.420000000000002 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.482 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.549999999999997 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 51.509999999999998 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.230000000000004 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.319999999999993 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 70' ' ' THR . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 61.409999999999997 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.775 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 62.149999999999999 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' N ' HD22 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.409999999999997 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 53.240000000000002 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 70.310000000000002 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 53.539999999999999 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.219999999999999 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.329999999999998 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 63.210000000000001 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.120000000000005 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 51.219999999999999 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.420000000000002 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.918 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.299999999999997 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 71.219999999999999 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.120000000000005 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.129999999999995 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 70.430000000000007 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.310000000000002 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.349999999999994 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 53.020000000000003 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 62.130000000000003 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 110.372 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.239999999999995 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 74.420000000000002 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.120000000000005 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.129999999999995 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 42.420000000000002 109.243 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.439999999999998 110.3 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 72.340000000000003 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 51.030000000000001 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 44.240000000000002 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.772 ' ND2' HD22 ' A' ' 26' ' ' LEU . 2.7 m-20 -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.200000000000003 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.886 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.450000000000003 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.209999999999994 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.430000000000007 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 65.519999999999996 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.400000000000006 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.109999999999999 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.530000000000001 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 62.43 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.140000000000001 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 55.310000000000002 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 65.530000000000001 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.030000000000001 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 23' ' ' LYS . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.549999999999997 110.443 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.310000000000002 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 40.25 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 64.140000000000001 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.886 ' CD ' HG13 ' A' ' 58' ' ' VAL . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 63.240000000000002 110.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' THR . 1.4 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.01 . . . . 72.049999999999997 108.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 -103.72 148.5 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 64.430000000000007 111.027 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.430000000000007 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.019999999999996 109.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.540000000000006 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 62.240000000000002 109.318 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.230000000000004 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.219999999999999 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.430000000000007 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 60.229999999999997 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.239999999999995 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 72.329999999999998 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 64.209999999999994 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.129999999999995 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 55.310000000000002 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 71.400000000000006 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.099999999999994 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 39' ' ' ALA . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 73.329999999999998 110.373 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.299999999999997 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.430000000000007 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' HD11 ' A' ' 25' ' ' ILE . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.209999999999994 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.049999999999997 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.6 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.450000000000003 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.109999999999999 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.430000000000007 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.409999999999997 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.219999999999999 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.200000000000003 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 70.129999999999995 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.340000000000003 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.200000000000003 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 54.43 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.622 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 65.329999999999998 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.420000000000002 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.439999999999998 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.310000000000002 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.909 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 40' ' ' VAL . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.530000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.540000000000006 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.140000000000001 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.409999999999997 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.909 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 45.450000000000003 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.430000000000007 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 61.329999999999998 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.150000000000006 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.319999999999993 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.310000000000002 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 65.430000000000007 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.622 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 54.329999999999998 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.696 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.219999999999999 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.340000000000003 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.409999999999997 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.129999999999995 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.109999999999999 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 53.119999999999997 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.340000000000003 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 61.009999999999998 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.439999999999998 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.239999999999995 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.140000000000001 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 54.310000000000002 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.140000000000001 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.340000000000003 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 73.230000000000004 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.533 HG21 ' HE3' ' A' ' 23' ' ' LYS . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.030000000000001 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.219999999999999 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.439999999999998 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.420000000000002 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.239999999999995 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.150000000000006 110.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 75.549999999999997 108.291 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 -95.86 168.95 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.230000000000004 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 1.036 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 62.340000000000003 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.409999999999997 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.120000000000005 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 54.149999999999999 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 54.020000000000003 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.603 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 51.299999999999997 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 45.130000000000003 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.299999999999997 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.219999999999999 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.450000000000003 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.439999999999998 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.319999999999993 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.040000000000006 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 62.240000000000002 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 1.036 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 71.109999999999999 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 70.450000000000003 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.230000000000004 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.010000000000005 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.219999999999999 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.340000000000003 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 71.519999999999996 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 54.439999999999998 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 54.509999999999998 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.349999999999994 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.129999999999995 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 72.450000000000003 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 71.310000000000002 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 35' ' ' THR . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 51.119999999999997 110.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.77 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.240000000000002 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.140000000000001 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.539999999999999 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.409999999999997 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.951 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.400000000000006 109.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.230000000000004 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.530000000000001 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 33.310000000000002 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.349999999999994 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.951 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 55.140000000000001 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.209999999999994 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 74.319999999999993 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.120000000000005 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 62.329999999999998 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.329999999999998 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.77 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 61.409999999999997 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.776 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.409999999999997 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.120000000000005 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 62.420000000000002 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.759 ' N ' HD22 ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 62.310000000000002 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.539999999999999 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 75' ' ' GLU . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.019999999999996 109.303 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.540000000000006 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.239999999999995 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.329999999999998 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.776 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 73.430000000000007 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 52.340000000000003 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 63.509999999999998 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.200000000000003 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.219999999999999 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 63.210000000000001 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 64.239999999999995 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.420000000000002 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 65.340000000000003 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.310000000000002 110.391 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 63.5 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.299999999999997 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.219999999999999 110.355 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.458 0.171 . . . . 65.23 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.539 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 53.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.4 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.22 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 m120 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.69 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.44 109.248 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 60.24 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.69 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.35 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 65.11 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.4 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 72.2 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.44 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.41 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 70.23 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 60.35 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.03 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 72.02 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.12 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 54.31 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.21 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.33 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 43.23 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.46 ' N ' HD22 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 52.21 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.2 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.34 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.51 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 72.14 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.4 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.67 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 71.03 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.13 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 22.21 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 64.5 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.22 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 23' ' ' LYS . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.13 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 61.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.3 108.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 41.53 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.54 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.24 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.41 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 51.22 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.45 110.387 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.54 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.41 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.43 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' THR . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.3 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.11 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 70.31 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.14 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.32 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.34 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 52.21 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.763 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.04 109.277 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.44 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 65.35 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.44 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.21 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.23 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.23 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.42 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.24 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.33 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.14 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.3 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.535 HG23 ' HB ' ' A' ' 70' ' ' THR . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 62.11 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.14 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.535 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 44.11 110.356 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 71.41 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.34 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 70.14 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.12 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 64.24 110.351 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.467 0.175 . . . . 70.13 111.02 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.912 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.52 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 61.1 109.978 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.14 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 65.42 109.278 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.12 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 41.15 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 62.35 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 63.15 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.11 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 60.45 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.1 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 53.24 110.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.21 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 63.23 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 50.02 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.912 HG21 ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.13 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.43 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 52.44 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.33 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.562 ' CG ' HG22 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.23 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.25 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 70' ' ' THR . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.23 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.54 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 64.4 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.11 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.31 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.53 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.11 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.15 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.41 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.625 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 23' ' ' LYS . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 61.11 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.14 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.01 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 72.11 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 62.14 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 50.41 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.54 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.22 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.43 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.44 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.14 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.44 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 53.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.42 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 72.3 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.43 110.298 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.51 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.21 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.31 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.34 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.763 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.34 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 63.22 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.819 HG13 ' CD ' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 70.2 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 53.13 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.777 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 73.15 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.44 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.44 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.31 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 53.3 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.23 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.54 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 65.14 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 23' ' ' LYS . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.34 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.33 110.431 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.44 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.22 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.819 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 51.34 110.285 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.305 0 CA-C-O 120.46 0.172 . . . . 64.43 111.048 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.575 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.42 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.53 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 51.3 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.22 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 45.14 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.41 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.13 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 55.32 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.41 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.51 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 72.43 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 70.13 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 53.05 110.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.3 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.13 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.05 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 71.3 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.448 ' H ' HG22 ' A' ' 19' ' ' THR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.21 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.32 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.2 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.53 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.03 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' HD22 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 62.01 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.04 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.23 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 74.11 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 62.31 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.2 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 61.53 109.283 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.21 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 44.14 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 35' ' ' THR . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 73.3 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.715 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.22 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.43 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.2 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.34 108.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.12 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 71.05 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.42 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.03 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.21 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.34 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 43.12 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.42 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.22 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 64.43 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.43 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.42 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 54.32 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.23 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.42 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.33 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.743 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.54 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.853 HG13 ' CD ' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.42 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 55.03 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 63.23 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.53 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 72.44 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 70.21 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 63.32 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.12 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 71.15 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.23 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.51 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.24 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.21 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.35 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.11 110.369 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 63.42 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.2 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.853 ' CD ' HG13 ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.11 110.263 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.534 0.207 . . . . 75.4 111.03 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 71.4 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.14 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.14 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.21 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.23 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.13 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 32.03 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.54 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.14 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 41.31 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 63.04 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.4 110.284 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.51 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 51.11 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 61.51 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 39' ' ' ALA . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.11 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 71.11 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.03 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.22 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.11 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.507 HD11 ' HD2' ' A' ' 23' ' ' LYS . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 55.25 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.31 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.21 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 60.23 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 51.31 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.614 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 72.24 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 52.21 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.21 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.4 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 23' ' ' LYS . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.24 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.42 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 43.44 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.4 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 31.32 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 44.35 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.51 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.14 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.14 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.33 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.34 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 44' ' ' THR . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 54.32 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.11 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.51 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 61.54 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.2 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 62.42 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.11 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.11 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.751 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.53 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.13 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.25 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 54.4 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.05 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.756 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.13 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.33 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.11 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.23 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 72.53 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 64.42 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.573 HG23 ' HB ' ' A' ' 70' ' ' THR . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 65.41 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.24 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.573 ' HB ' HG23 ' A' ' 68' ' ' THR . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 72.42 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 65.23 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 71.4 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 62.12 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 72.04 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.11 110.31 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.497 0.189 . . . . 74.51 110.993 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.887 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 70.33 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.4 ' OD1' ' OE2' ' A' ' 15' ' ' GLU . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.41 109.977 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.41 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.43 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.21 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.795 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.4 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 31.03 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.795 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.11 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.23 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.12 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 60.04 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.43 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.402 ' OE2' ' OD1' ' A' ' 6' ' ' ASN . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.32 110.299 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 60.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.13 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.41 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.887 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 61.2 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 64.15 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.11 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 71.1 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' THR . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 63.1 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.815 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.53 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.588 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.31 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.44 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.52 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.45 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 71.24 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 73.15 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.05 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.44 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.35 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 71.14 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.691 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 63.01 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.43 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.34 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.15 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.22 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.423 HG13 ' OD1' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 70.31 109.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' HG13 ' A' ' 40' ' ' VAL . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.2 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.44 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 31.21 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.13 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 43.42 109.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.54 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 74.33 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.4 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.14 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.51 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 71.53 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.847 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.45 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.44 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.23 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.751 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 53.53 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 43.45 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' CD ' ' A' ' 75' ' ' GLU . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 64.32 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.01 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.55 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.12 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 72.32 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 72.1 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.02 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.42 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.33 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.3 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.454 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.14 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.04 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 63.11 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.33 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 62.31 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 44.12 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.776 ' CD ' HG13 ' A' ' 58' ' ' VAL . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.12 110.271 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.523 0.201 . . . . 75.2 111.025 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.527 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.54 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.45 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.11 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.24 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 64.34 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.43 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 54.01 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.1 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.21 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.12 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.24 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.42 110.307 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.519 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 64.24 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 52.31 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 62.23 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 73.01 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 72.53 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.15 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.53 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 63.24 109.271 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.12 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.448 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.15 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.41 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 52.12 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 72.05 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.14 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.35 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.678 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.22 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 34.44 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.2 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 62.44 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.734 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 74.12 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.41 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 71.23 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 41.4 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.21 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.23 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 21.01 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.417 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.32 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.13 110.44 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 62.31 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.44 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HZ2' ' C ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 63.32 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' THR . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.23 109.269 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.11 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 61.43 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 53.41 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 60.11 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.51 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.24 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.12 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.34 109.275 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 61.4 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 75' ' ' GLU . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.52 109.249 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.22 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.55 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 65.12 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.11 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 62.44 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 60.31 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.24 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.22 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.538 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.04 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.538 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.34 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.23 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.43 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 52.32 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' CG ' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.03 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.497 0.189 . . . . 73.14 111.026 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 63.21 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.32 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 42.02 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.33 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.34 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.43 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.44 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 53.24 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.05 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 65.22 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 61.3 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.23 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.35 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 41.23 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 45.41 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 60.35 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.02 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.32 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 72.21 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD3' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.22 109.285 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.05 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 70.13 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 65.03 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.12 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.54 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 63.55 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.13 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.04 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 70.34 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 64.1 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 64.54 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.723 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.01 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' HD3' ' A' ' 23' ' ' LYS . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 63.13 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.2 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.24 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.13 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 70.24 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.45 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 31.34 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 61.44 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 54.33 110.379 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.53 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' CD ' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.12 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.14 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' THR . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 63.45 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.51 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' ' CD ' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 71.31 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.34 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.34 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.44 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.4 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.745 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.24 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.3 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 75' ' ' GLU . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.12 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.43 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 71.02 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 44.53 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.797 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.24 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.42 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.14 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.33 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 43.13 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.14 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.33 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.03 110.404 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.52 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 43.33 110.421 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 71.15 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.44 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.15 110.307 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.485 0.184 . . . . 73.34 111.019 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 63.42 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 73.31 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.23 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.45 109.252 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.54 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 62.42 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.03 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 54.14 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 72.03 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.42 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.14 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.31 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE1' ' O ' ' A' ' 10' ' ' ALA . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.41 110.297 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.34 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 70.32 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.1 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 62.32 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 52.45 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.2 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 64.03 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.532 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 65.41 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.819 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.55 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.536 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 62.53 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 72.4 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 53.13 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 51.45 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 54.44 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 64.14 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.35 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 54.55 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.22 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.886 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 44.53 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 23' ' ' LYS . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.15 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.41 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 71.13 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.03 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.53 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 72.25 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 61.42 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 39' ' ' ALA . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.13 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.14 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.04 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 62.33 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.32 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 62.51 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.42 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.43 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.34 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 61.2 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 70.34 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.24 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 54.53 109.283 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 74.12 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.615 HG13 ' HG3' ' A' ' 75' ' ' GLU . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.33 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.22 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.23 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.44 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 71.1 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 52.43 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.12 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.23 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 63.31 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.21 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.33 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 61.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.12 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 54.01 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 70.44 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.44 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.615 ' HG3' HG13 ' A' ' 58' ' ' VAL . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.4 110.261 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 . . . . . 0 N--CA 1.454 -0.273 0 CA-C-O 120.501 0.191 . . . . 74.24 111.011 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.24 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 72.15 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.2 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 51.21 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.51 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.33 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 42.4 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.53 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.32 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.54 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.34 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.04 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 63.34 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.12 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.32 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.963 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 63.32 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.41 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.14 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 71.14 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 63.3 109.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.809 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.31 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 70' ' ' THR . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.45 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 73.34 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.41 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.12 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.32 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.15 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 109.296 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 72.13 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 61.21 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 70.21 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.44 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 70.41 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.45 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.42 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.41 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.35 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 55.4 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.31 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 72.31 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.03 109.254 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.34 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.41 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 62.11 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 73.22 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 61.11 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.33 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.13 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.41 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.55 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.758 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 63.41 109.333 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.52 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.31 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 52.31 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.22 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.15 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.55 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 63.44 110.439 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' THR . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.43 111.031 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 35.24 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.32 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.13 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 61.24 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.1 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 25' ' ' ILE . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.41 110.389 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 63.23 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.04 110.371 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 45.21 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.13 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.3 110.286 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.515 0.197 . . . . 72.02 110.965 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.33 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.402 ' OD1' ' CD ' ' A' ' 15' ' ' GLU . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.42 109.988 179.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.0 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.11 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.54 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 63.44 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.44 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 74.34 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.43 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.41 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.13 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.407 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.31 110.328 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.52 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.44 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 71.01 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.44 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.539 ' H ' HG22 ' A' ' 19' ' ' THR . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 61.55 110.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 72.35 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 60.23 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HG22 ' A' ' 36' ' ' THR . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 65.35 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.24 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.24 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.03 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.41 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.22 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.01 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 71.22 109.307 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.1 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 43.34 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.1 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.41 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.34 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 53.41 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.45 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 71.21 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 73.4 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.11 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.14 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.4 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 64.2 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 54.2 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 61.21 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.23 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.23 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.44 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.13 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 42.13 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 52.23 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.13 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.753 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 70.23 109.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 53.22 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 HG13 ' HG3' ' A' ' 75' ' ' GLU . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.4 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.42 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.31 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 65.22 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.32 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.34 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.24 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.33 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 61.34 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.22 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.33 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 70.21 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.569 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 62.44 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.43 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 64.34 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.32 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HG3' HG13 ' A' ' 58' ' ' VAL . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.05 110.32 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.463 0.173 . . . . 71.41 111.024 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.84 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 50.54 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 62.34 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.21 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.23 109.292 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.23 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 71.11 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.12 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.52 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.2 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.04 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.11 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.05 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 61.54 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.15 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.01 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.84 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.23 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.11 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 70.32 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 60.45 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 71.22 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.817 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 64.4 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 63.04 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 65.24 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 70.42 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 32.02 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.43 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.45 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.33 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.42 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 71.35 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 62.43 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.694 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.14 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 65.43 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.31 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 61.32 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 54.12 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 64.3 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.01 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 63.54 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.4 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 72.4 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.661 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.44 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.04 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 63.31 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 44' ' ' THR . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.21 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.13 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.32 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.2 110.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 71.43 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.53 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.42 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.43 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 70.3 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 55.32 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 53.4 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 32.22 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 54.21 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.43 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.13 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.43 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 70.15 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 64.5 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 50.13 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.35 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.31 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.14 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.21 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.4 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 65.21 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 54.45 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 71.22 110.233 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 . . . . . 0 N--CA 1.452 -0.334 0 CA-C-O 120.5 0.191 . . . . 62.44 111.016 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 63.25 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.44 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 55.01 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 62.51 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 55.51 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.33 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.01 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.31 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.52 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 45.32 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.45 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' CD ' ' OE2' ' A' ' 12' ' ' GLU . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.04 110.312 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.42 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 42.24 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 41.34 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.55 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 52.11 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.24 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.33 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 25' ' ' ILE . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 74.45 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.42 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 23' ' ' LYS . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 54.45 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.23 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.12 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.03 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.31 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 71.24 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 62.13 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.43 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.03 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 65.43 110.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.01 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 65.43 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.14 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.2 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.927 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 72.13 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.4 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.13 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.31 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.03 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.12 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 63.44 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.43 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.1 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.23 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.11 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.41 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.31 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.58 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.55 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.11 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 64.32 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.32 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.754 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.13 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.34 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.895 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.41 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.24 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.21 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 74.32 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.21 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.31 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.44 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.41 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.24 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 110.382 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.34 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.12 110.427 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.1 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 71.25 110.381 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.24 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.15 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.895 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 52.31 110.318 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.501 0.191 . . . . 64.25 110.988 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.54 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.53 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.42 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 52.51 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.1 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.01 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.44 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.81 ' C ' HD21 ' A' ' 16' ' ' LEU . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.33 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.585 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.12 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.11 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.43 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 60.45 110.339 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.81 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.41 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.33 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.23 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 39' ' ' ALA . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 74.35 110.429 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.12 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.11 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.43 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HD2' HD11 ' A' ' 25' ' ' ILE . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 61.41 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 54.41 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.624 HD11 ' HD2' ' A' ' 23' ' ' LYS . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.32 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.11 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 65.12 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 40.42 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 72.51 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 72.45 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 54.42 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.04 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.34 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.22 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.33 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.1 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 53.4 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 72.22 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.12 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 61.04 109.332 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.2 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.24 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB1' ' HZ1' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.12 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 54.44 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 44.42 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 62.34 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HZ1' ' HB1' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.23 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.33 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 63.14 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.13 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 54.04 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.82 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.42 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.21 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.55 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 64.25 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.75 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.42 109.274 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.03 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.541 HG13 ' CG ' ' A' ' 75' ' ' GLU . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.32 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.41 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 32.2 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.04 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.33 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.35 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.45 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 51.04 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.33 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.31 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 52.41 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 66' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.24 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.504 ' HB ' HG23 ' A' ' 68' ' ' THR . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.34 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.32 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.1 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.54 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.54 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.541 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.53 110.263 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.49 0.186 . . . . 74.04 111.049 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 73.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.33 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.23 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 51.14 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.823 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.01 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.05 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.823 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.33 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.24 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.31 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.21 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 72.14 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.406 ' CD ' ' OD1' ' A' ' 4' ' ' ASP . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 62.44 110.291 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 73.11 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 30.53 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.11 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 42.53 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.15 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.11 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.2 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 55.22 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.692 ' N ' HD22 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 62.12 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.33 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.32 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.31 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 74.21 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.44 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 44.45 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.23 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.55 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.21 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.779 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.44 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 51.13 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.41 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.44 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.33 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.31 109.284 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.12 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.54 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.11 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.35 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 70.35 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.03 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 44' ' ' THR . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.35 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 65.43 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.14 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 63.14 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.779 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.22 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.34 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.41 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.55 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.75 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 70.1 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 54.2 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 75' ' ' GLU . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 51.22 109.266 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 60.53 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.11 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.03 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 62.02 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.24 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.33 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 71.2 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.3 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 54.2 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.04 110.387 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.31 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 51.44 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.32 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.43 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.44 110.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.56 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.526 0.203 . . . . 61.05 111.003 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.881 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.11 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 55.12 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 50.33 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.1 m120 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 70.54 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 71.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.12 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.51 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 64.1 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.34 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.41 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 55.35 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 71.04 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.53 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.35 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 64.12 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 63.45 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.881 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.43 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.31 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.41 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 62.41 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 25' ' ' ILE . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.41 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 23' ' ' LYS . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.42 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 72.31 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.42 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.43 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.34 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.11 109.285 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 72.23 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 43.22 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.44 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 61.05 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 71.05 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.33 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.42 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 62.31 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.12 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.52 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.11 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 70.12 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.43 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 52.24 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.43 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.15 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 44' ' ' THR . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 65.31 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.31 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.44 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.65 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.13 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.683 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.13 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 52.54 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.52 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.752 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 62.54 109.278 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.24 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 75' ' ' GLU . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.02 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.01 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.22 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.43 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.34 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 52.03 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.33 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.14 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.4 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 43.23 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 61.42 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 68' ' ' THR . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.41 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.54 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.51 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.11 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 61.3 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 40.45 110.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.605 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.4 m-85 . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.509 0.195 . . . . 64.24 111.039 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.556 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 51.25 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.32 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.54 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.42 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.14 109.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.54 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 52.54 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.12 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.33 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.23 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.4 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.22 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 4' ' ' ASP . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.51 110.29 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.21 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 53.22 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 64.21 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.13 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.467 ' H ' HG22 ' A' ' 19' ' ' THR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 61.32 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.43 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.02 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.21 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.48 ' N ' HD22 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 63.31 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 61.14 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 72.11 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 51.1 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 62.14 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.23 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.04 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.43 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 63.25 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.852 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 70.21 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 41.54 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 64.24 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.24 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 1.0 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.04 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 62.41 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 65.11 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 32.25 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.3 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 51.33 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.0 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 52.42 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.24 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 73.43 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.2 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.11 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 64.41 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 72.32 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.852 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 73.11 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.42 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.21 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 60.32 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.742 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 64.23 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.43 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 75' ' ' GLU . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 61.44 109.255 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 64.41 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.11 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 73.21 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 72.45 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 52.42 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.43 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.52 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.21 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.51 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 62.11 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.15 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.52 110.411 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.42 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 63.33 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.13 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 65.05 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 61.2 110.315 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.497 0.189 . . . . 73.2 111.041 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 64.5 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.12 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.24 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.3 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.22 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.502 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.02 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 31.35 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.41 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.11 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 44.21 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 64.21 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.403 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 71.35 110.274 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.24 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.44 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.42 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.24 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 54.51 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.34 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.51 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.2 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 62.42 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.719 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 44.23 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.2 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.24 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.34 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.35 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.11 109.34 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 54.23 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 62.54 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.21 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.22 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 63.2 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.11 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.31 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.596 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 63.45 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.55 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.4 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.53 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' VAL . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.34 110.389 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 44.1 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.21 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.42 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 44' ' ' THR . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 73.22 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 62.01 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.34 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.24 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 51.21 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 60.42 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.1 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.43 109.257 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.55 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.23 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.55 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 54.03 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.41 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.647 ' HH2' ' HB3' ' A' ' 53' ' ' ALA . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.35 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.33 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.24 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.41 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 72.12 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.34 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.45 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 70.22 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 70.12 110.401 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 73.33 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.45 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.41 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.31 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.582 ' CG ' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.24 110.308 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.553 0.216 . . . . 75.34 110.981 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.52 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 62.02 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 50.11 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.41 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.22 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.22 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.32 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 44.53 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.757 ' C ' HD21 ' A' ' 16' ' ' LEU . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.01 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 71.23 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.22 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.11 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.401 ' OE1' ' O ' ' A' ' 10' ' ' ALA . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.23 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.757 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.45 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.33 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 60.42 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.482 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.55 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 51.51 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.23 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.32 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 70' ' ' THR . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 61.41 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.775 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 62.15 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.429 ' N ' HD22 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.41 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 53.24 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 70.31 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 53.54 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.22 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.33 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 63.21 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.12 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 51.22 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.42 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.918 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.3 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 71.22 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.12 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.13 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 70.43 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.31 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.35 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 53.02 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 62.13 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.53 110.372 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.04 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.24 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 74.42 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.12 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.13 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 42.42 109.243 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.465 ' NE2' ' C ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.44 110.3 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 72.34 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 51.03 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.22 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 44.24 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.755 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.2 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.886 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.45 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.21 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.43 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 65.52 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.4 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.11 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.53 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 62.43 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.14 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 55.31 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 65.53 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.03 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 23' ' ' LYS . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.55 110.443 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.31 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.31 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 40.25 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 64.14 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.886 ' CD ' HG13 ' A' ' 58' ' ' VAL . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 63.24 110.29 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.494 0.188 . . . . 64.43 111.027 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.43 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.02 109.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.54 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 62.24 109.318 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.23 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.22 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.43 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 60.23 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.24 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 72.33 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 64.21 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.13 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 55.31 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 71.4 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.1 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 39' ' ' ALA . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 73.33 110.373 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.3 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.43 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.24 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' HD11 ' A' ' 25' ' ' ILE . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.21 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.804 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.05 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.6 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.45 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.11 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.43 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.41 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.22 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.2 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 70.13 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.34 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.2 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 54.43 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.622 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 65.33 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.42 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.44 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.31 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.909 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.13 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 40' ' ' VAL . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.53 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.54 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.14 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.41 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.909 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 45.45 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.43 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 61.33 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.15 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.32 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.31 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 65.43 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.622 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 54.33 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.696 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.22 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.34 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.41 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.13 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.11 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 53.12 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.34 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 61.01 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.44 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.24 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.14 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 54.31 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.14 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.34 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 73.23 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.533 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.03 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.22 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.44 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.42 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.24 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.15 110.263 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.509 0.195 . . . . 72.23 111.006 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 1.036 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 62.34 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.41 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.12 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 54.15 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 54.02 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.603 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 51.3 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 45.13 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.3 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.22 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.45 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.44 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' OE2' ' OE2' ' A' ' 12' ' ' GLU . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.11 110.287 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.32 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.04 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 62.24 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 1.036 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 71.11 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 70.45 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.23 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.14 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.01 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.22 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.34 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 71.52 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 54.44 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 54.51 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.35 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.13 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 72.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 71.31 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 35' ' ' THR . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 51.12 110.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.77 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.24 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.14 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.54 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.41 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.951 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.4 109.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.23 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.53 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 33.31 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.35 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.21 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.951 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 55.14 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.21 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 74.32 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.12 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.675 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.43 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 62.33 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.33 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.77 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 61.41 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.776 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.41 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.12 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 62.42 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 62.31 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.54 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 75' ' ' GLU . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.02 109.303 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.54 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.24 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.33 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TRP . . . . . 0.776 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 73.43 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 52.34 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 63.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.2 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.22 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 63.21 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 64.24 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.42 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 65.34 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.31 110.391 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 63.5 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.3 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.22 110.355 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 34.33 108.256 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 22.4 m-85 -111.06 153.08 26.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 65.23 111.009 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.539 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -132.0 131.37 61.52 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 123.609 1.671 . . . . 53.25 109.26 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.6 t0 -98.42 145.2 26.98 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 117.884 -1.055 . . . . 63.4 110.027 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.449 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 13.6 p -108.52 14.96 24.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 72.22 110.388 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.44 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.5 m120 -110.51 -24.23 10.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 64.23 109.283 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.4 t-20 77.24 28.92 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 71.25 109.296 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.69 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 5.9 p30 -104.32 16.79 25.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 1.16 . . . . 74.44 109.248 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 45.0 39.28 6.36 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.53 1.144 . . . . 60.24 110.982 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.69 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.49 132.12 21.1 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 0.764 . . . . 74.35 109.322 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.6 m-85 -97.06 121.96 39.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 65.11 111.03 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.443 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.86 115.57 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 74.4 110.31 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.96 -121.25 6.3 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.136 . . . . 72.2 110.997 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -78.07 -16.9 57.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 74.44 109.329 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.418 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 56.9 mt-10 -65.68 -10.33 35.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 74.41 110.324 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.57 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 7.9 mt -113.63 37.37 3.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.127 . . . . 70.23 109.25 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.7 p -89.12 -22.63 22.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 60.35 109.982 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.39 113.06 3.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.501 1.125 . . . . 61.03 111.011 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.8 m -110.83 177.43 4.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.501 0.766 . . . . 72.02 110.403 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.437 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 8.1 mtt -130.74 126.51 36.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 1.092 . . . . 74.12 110.987 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -94.28 133.67 37.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.147 . . . . 54.31 110.291 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.0 m-85 -130.11 147.09 51.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 72.21 111.047 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.559 ' CG ' HG22 ' A' ' 36' ' ' THR . 0.5 OUTLIER -103.58 115.3 30.26 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.146 . . . . 75.33 109.333 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.728 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -97.79 113.84 25.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 43.23 109.315 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.46 ' N ' HD22 ' A' ' 24' ' ' LEU . 21.4 mt -114.82 127.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 52.21 109.325 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.728 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.91 110.89 20.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 71.2 109.287 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -104.2 100.78 10.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 73.34 109.284 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.85 152.53 19.94 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.517 1.135 . . . . 71.51 111.045 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -68.19 -36.77 80.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 0.768 . . . . 72.14 109.298 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.7 p -102.01 -23.93 14.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 74.4 110.384 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.67 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -130.98 107.89 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 71.03 109.294 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttt -133.74 123.71 25.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 74.13 109.254 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -172.59 -175.92 40.91 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.506 1.128 . . . . 22.21 111.007 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -142.26 168.78 18.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 0.74 . . . . 64.5 110.342 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.768 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -176.92 174.3 1.76 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.48 1.113 . . . . 64.22 110.415 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.559 HG22 ' CG ' ' A' ' 23' ' ' LYS . 14.9 p -145.12 147.74 32.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 63.13 110.404 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.76 146.17 30.2 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 61.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.21 144.2 42.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 75.3 108.326 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.31 159.78 43.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 41.53 109.31 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.52 -35.8 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 73.54 109.331 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -138.98 146.11 40.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.24 109.254 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.87 -18.61 13.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 73.41 109.246 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.92 75.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 51.22 109.295 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 48' ' ' VAL . 15.0 m -69.57 -43.15 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 64.45 110.387 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.644 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.29 86.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 72.54 109.285 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.96 -50.17 74.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 70.41 110.288 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.0 OUTLIER -61.3 -29.37 69.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.097 . . . . 74.43 109.32 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 44' ' ' THR . 50.1 t -73.5 -41.06 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.459 1.1 . . . . 65.3 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.29 -41.19 81.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 72.25 111.009 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 10.4 mmtm -66.92 -34.95 78.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 71.11 109.289 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -73.61 -29.06 62.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 70.31 110.328 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.768 ' CE1' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.27 -52.33 19.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 74.14 110.988 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.749 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.67 -35.48 74.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.472 1.107 . . . . 75.32 109.257 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -69.13 -37.52 78.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 74.34 109.282 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -64.82 -21.46 66.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 52.21 109.311 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.763 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.27 -18.98 23.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.04 109.277 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.52 16.93 77.6 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.461 1.101 . . . . 75.44 111.028 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.416 HG13 ' HB2' ' A' ' 75' ' ' GLU . 68.5 t -103.13 132.73 48.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.572 0.807 . . . . 65.35 109.292 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -144.58 137.59 26.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 73.44 109.329 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.16 -116.89 0.43 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.524 1.14 . . . . 74.21 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -96.69 116.06 28.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 0.753 . . . . 75.23 110.269 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.749 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.6 m95 -98.48 124.81 43.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 72.23 107.97 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.5 t -136.89 133.25 35.56 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 73.42 110.397 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.604 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.1 t80 -129.09 140.29 51.64 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 74.24 110.941 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.3 m-20 -117.29 108.25 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 75.33 109.282 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -64.64 -20.42 66.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 75.14 109.289 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.53 -26.25 63.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 63.3 109.299 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.535 HG23 ' HB ' ' A' ' 70' ' ' THR . 5.7 t -142.27 14.76 2.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 62.11 110.417 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 68' ' ' THR . 11.1 mmtm 39.62 62.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 72.14 109.266 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.535 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.9 m -134.23 137.76 44.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 44.11 110.356 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.604 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 7.3 m-85 -115.79 141.24 48.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 71.41 111.033 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.9 m -132.19 131.95 42.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 71.34 110.392 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.51 57.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 70.14 109.257 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -106.99 119.29 38.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 74.12 110.402 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HB2' HG13 ' A' ' 58' ' ' VAL . 1.7 tm-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 64.24 110.351 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 108.293 -1.003 . . . . 71.42 108.293 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.575 ' C ' ' CE1' ' A' ' 11' ' ' TYR . 40.5 m-85 -61.74 163.41 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 70.13 111.02 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.912 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.04 128.71 59.68 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.756 0 CA-C-O 123.603 1.668 . . . . 75.52 109.294 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.0 t0 -88.18 138.09 31.75 Favored 'General case' 0 N--CA 1.49 1.551 0 CA-C-O 117.89 -1.052 . . . . 61.1 109.978 179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -106.8 18.57 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 74.0 110.369 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.488 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.46 -26.12 9.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 74.14 109.337 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.488 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 82.06 29.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 65.42 109.278 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -102.17 -27.37 12.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 75.12 109.28 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.83 38.52 5.77 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.531 1.144 . . . . 41.15 110.999 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.484 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 145.3 31.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 62.35 109.317 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CE1' ' C ' ' A' ' 2' ' ' TYR . 23.8 m-85 -103.25 116.71 32.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.082 . . . . 63.15 111.039 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.3 OUTLIER -164.36 113.54 1.16 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.095 . . . . 74.11 110.296 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.66 -119.07 5.34 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.512 1.132 . . . . 60.45 110.994 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -78.19 -16.71 57.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 0.77 . . . . 73.1 109.283 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 25.8 mt-10 -70.65 -5.86 32.64 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 53.24 110.257 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 2' ' ' TYR . 19.1 mt -117.43 28.62 8.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 1.119 . . . . 64.21 109.28 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.7 t -88.96 -22.0 23.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.546 1.154 . . . . 63.23 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 120.25 120.18 2.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.531 1.144 . . . . 50.02 111.001 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.912 HG21 ' HB ' ' A' ' 3' ' ' VAL . 0.7 OUTLIER -119.18 178.38 4.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.768 . . . . 74.13 110.394 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.404 ' CB ' ' OH ' ' A' ' 22' ' ' TYR . 10.2 mtt -127.05 127.02 44.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 74.43 110.99 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -97.52 140.33 32.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.575 1.172 . . . . 52.44 110.251 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' OH ' ' CB ' ' A' ' 20' ' ' MET . 37.0 m-85 -136.59 149.0 47.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 75.33 110.991 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.562 ' CG ' HG22 ' A' ' 36' ' ' THR . 5.4 tttm -104.21 115.72 30.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 74.23 109.355 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.43 115.81 27.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 63.25 109.314 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.474 HD12 ' CG2' ' A' ' 70' ' ' THR . 8.4 mt -115.26 126.38 72.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.23 109.31 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -115.14 111.29 20.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 74.54 109.29 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -103.82 100.74 10.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 64.4 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.78 154.89 21.52 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.479 1.112 . . . . 72.11 111.015 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.05 -36.56 69.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 65.5 109.349 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.3 t -101.86 -23.82 14.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 73.31 110.414 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 104.96 7.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 63.53 109.287 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.2 pttt -133.96 123.84 25.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 73.11 109.284 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.66 -170.6 35.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 73.15 110.992 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -144.53 168.74 19.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 0.751 . . . . 72.41 110.259 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.625 HG21 ' CE1' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.85 173.46 1.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 72.0 110.394 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.562 HG22 ' CG ' ' A' ' 23' ' ' LYS . 11.8 p -144.99 149.56 35.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 61.11 110.381 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.8 t -146.35 149.22 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 73.14 110.363 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 61.5 m -112.55 142.33 45.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 71.01 108.28 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.49 155.05 41.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 72.11 109.318 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.12 -37.53 78.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 62.14 109.319 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -135.3 143.76 46.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 50.41 109.296 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.36 -21.16 33.87 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.45 1.094 . . . . 71.54 109.324 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.38 -43.54 81.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 71.22 109.286 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -71.62 -43.06 66.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.482 1.114 . . . . 72.43 110.381 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.848 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.12 -37.12 86.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 72.44 109.328 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 5.0 tp10 -57.75 -40.37 79.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 63.14 110.261 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? -66.16 -37.56 85.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 75.44 109.349 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 55.7 t -67.83 -40.86 84.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 53.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.7 OUTLIER -68.51 -41.24 80.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 65.42 110.975 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.9 mmtp -67.53 -35.86 79.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 72.3 109.289 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -73.68 -26.67 60.84 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.487 1.117 . . . . 75.43 110.298 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.625 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.9 OUTLIER -71.16 -52.45 19.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 73.51 110.997 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.777 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -58.99 -35.07 72.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 75.21 109.324 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -70.42 -37.19 74.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 73.31 109.31 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 52.2 t0 -65.62 -21.72 66.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.34 109.25 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.763 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.88 -18.81 24.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 75.34 109.303 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.46 28.81 66.98 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.113 . . . . 63.22 110.979 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.819 HG13 ' CD ' ' A' ' 75' ' ' GLU . 53.3 t -120.72 132.72 69.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.545 0.791 . . . . 70.2 109.307 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -144.7 141.46 29.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 53.13 109.303 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.36 -116.85 0.43 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.521 1.138 . . . . 61.43 111.002 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -96.39 115.87 28.13 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 75.25 110.32 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.777 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 16.5 m95 -98.61 125.02 43.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.988 -1.115 . . . . 73.15 107.988 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.2 t -136.82 133.31 35.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.44 110.435 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.737 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -131.02 139.85 50.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 72.44 110.985 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.2 m-20 -117.26 108.35 15.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 74.31 109.264 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 9.1 t70 -62.77 -20.55 65.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 53.3 109.297 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.88 -28.2 67.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 64.23 109.271 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 57.8 p -137.69 12.52 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 72.54 110.43 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 1.0 OUTLIER 39.95 56.33 2.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 65.14 109.294 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.544 HG23 ' HB3' ' A' ' 23' ' ' LYS . 17.2 m -128.6 137.19 51.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 72.0 110.386 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.737 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.3 m-85 -115.5 140.85 48.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 75.34 110.962 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.412 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.0 m -131.64 133.85 45.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 74.33 110.431 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.44 118.67 58.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 71.44 109.266 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -107.03 118.93 38.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 61.22 110.402 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.819 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.7 tt0 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 51.34 110.285 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 108.289 -1.004 . . . . 54.13 108.289 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.604 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 -114.95 156.51 24.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.163 . . . . 64.43 111.048 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.575 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.6 t -131.99 136.25 57.06 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.639 1.685 . . . . 64.42 109.296 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 5' ' ' THR . 59.8 t0 -100.03 144.9 28.53 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.934 -1.032 . . . . 64.53 109.984 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.45 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 61.1 p -105.21 13.71 30.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 51.3 110.375 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -110.85 -19.89 12.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 74.22 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 70.97 21.41 4.97 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.557 1.16 . . . . 45.14 109.328 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.525 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -85.98 -27.04 25.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 63.41 109.267 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.17 33.46 7.25 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.513 1.133 . . . . 74.13 111.017 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 137.88 27.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 0.784 . . . . 55.32 109.257 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.3 m-85 -98.81 114.44 27.01 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 74.41 111.024 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -155.06 115.76 3.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 74.51 110.268 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.8 -120.8 6.18 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 72.43 111.004 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -78.13 -16.84 57.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 70.13 109.257 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -65.65 -10.29 34.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 53.05 110.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.604 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 8.0 mt -110.92 37.58 2.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 74.3 109.293 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.99 -22.05 23.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 55.13 109.98 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.59 109.9 3.28 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 74.05 110.982 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.61 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.9 m -107.46 178.83 4.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 71.3 110.38 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.448 ' H ' HG22 ' A' ' 19' ' ' THR . 11.9 mtt -132.61 126.75 33.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.21 111.003 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -92.75 138.13 31.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.32 110.308 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.42 ' CE2' ' O ' ' A' ' 20' ' ' MET . 55.9 m-85 -135.06 148.66 49.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 71.2 111.005 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.55 ' HG2' HG23 ' A' ' 70' ' ' THR . 12.3 ttpp -102.47 117.89 35.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 72.53 109.317 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.826 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.13 25.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 71.03 109.289 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.496 ' N ' HD22 ' A' ' 24' ' ' LEU . 9.8 mt -112.79 126.21 70.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 62.01 109.287 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -115.22 111.09 20.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.153 . . . . 74.04 109.234 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.2 m-20 -104.21 100.81 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 64.23 109.295 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.27 157.99 23.17 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.482 1.114 . . . . 74.11 111.032 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -74.11 -36.8 64.24 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 0.778 . . . . 62.31 109.271 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -101.9 -23.9 14.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 73.2 110.405 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.415 ' HA ' HD13 ' A' ' 31' ' ' LEU . 0.1 OUTLIER -130.94 103.24 6.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 61.53 109.283 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -133.81 123.74 25.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 75.21 109.299 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -171.89 -170.1 35.46 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.446 1.091 . . . . 44.14 110.99 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.4 ' O ' ' HB ' ' A' ' 35' ' ' THR . 27.5 mt-10 -143.63 167.6 21.86 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 0.73 . . . . 73.3 110.246 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.715 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t 179.57 175.12 0.76 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.158 . . . . 73.22 110.404 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.459 ' N ' ' OG1' ' A' ' 35' ' ' THR . 40.0 p -146.73 148.77 32.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.563 1.164 . . . . 73.43 110.426 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.9 t -145.52 148.36 33.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 62.2 110.364 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 20' ' ' MET . 0.1 OUTLIER -112.4 143.32 43.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.544 1.153 . . . . 74.34 108.295 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.879 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.91 159.67 42.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 73.12 109.31 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 p -68.23 -38.99 80.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 71.05 109.301 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -135.06 144.01 47.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 73.42 109.307 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.12 -25.61 46.66 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 70.03 109.312 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.16 -45.7 80.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.488 1.118 . . . . 60.21 109.291 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.8 m -68.38 -41.02 81.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.113 . . . . 74.34 110.349 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.879 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.32 -37.34 86.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 43.12 109.302 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 tt0 -57.95 -35.81 71.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 72.42 110.271 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.421 ' HA ' ' CE ' ' A' ' 47' ' ' LYS . 5.4 mmmm -64.56 -38.47 91.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 72.22 109.351 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.8 t -71.32 -40.12 73.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 64.43 109.264 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.673 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.2 t80 -65.38 -41.26 93.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.135 . . . . 74.43 111.006 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' NZ ' ' CE3' ' A' ' 62' ' ' TRP . 12.5 mmtt -70.16 -33.77 72.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 73.42 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -73.25 -31.4 64.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.126 . . . . 54.32 110.3 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.715 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -66.66 -52.37 45.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 73.23 111.026 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.77 -38.55 82.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 72.42 109.321 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -64.28 -39.41 93.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 72.43 109.296 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -64.26 -21.61 66.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 70.33 109.34 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.743 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.59 -18.95 21.64 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 71.54 109.31 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.63 24.97 76.45 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.466 1.104 . . . . 61.0 110.981 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.853 HG13 ' CD ' ' A' ' 75' ' ' GLU . 55.8 t -111.59 132.66 59.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.52 0.777 . . . . 73.42 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -144.63 141.23 29.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 55.03 109.299 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -174.75 -117.66 0.49 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.47 1.106 . . . . 63.23 111.014 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -95.3 114.47 26.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 0.781 . . . . 75.53 110.302 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.673 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 20.2 m95 -97.77 124.68 42.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 72.44 108.026 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.3 t -134.76 133.29 39.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 70.21 110.403 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.717 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.4 t80 -133.51 137.67 45.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 63.32 111.027 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.28 108.29 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 71.12 109.313 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -63.95 -20.4 65.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 71.15 109.33 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.66 -35.83 75.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.134 . . . . 70.23 109.31 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 62.3 p -128.46 12.11 6.4 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 64.51 110.363 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.8 OUTLIER 40.23 62.17 1.37 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.1 . . . . 74.24 109.267 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.55 HG23 ' HG2' ' A' ' 23' ' ' LYS . 17.0 m -135.74 137.53 41.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.533 1.146 . . . . 73.21 110.393 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.717 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -117.65 141.22 48.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 72.35 110.952 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.447 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -133.04 134.59 44.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 55.11 110.369 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.51 118.3 57.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 63.42 109.281 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -106.66 118.88 37.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.115 . . . . 75.2 110.438 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.853 ' CD ' HG13 ' A' ' 58' ' ' VAL . 20.0 tt0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.11 110.263 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.324 -0.991 . . . . 73.54 108.324 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 21.7 m-85 -61.92 163.13 8.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 75.4 111.03 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.485 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.19 136.44 56.49 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.747 0 CA-C-O 123.622 1.677 . . . . 71.4 109.27 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.9 t0 -97.7 145.01 26.75 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.861 -1.066 . . . . 75.14 109.97 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.46 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.6 p -105.05 13.63 30.55 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.54 1.15 . . . . 72.14 110.362 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.94 -20.06 12.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 75.21 109.281 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.7 m120 71.52 25.94 3.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 75.23 109.308 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -93.2 -24.36 18.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 74.5 109.307 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.81 35.4 7.25 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 52.13 111.046 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.497 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.62 139.54 28.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 0.757 . . . . 32.03 109.337 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.89 113.95 26.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.46 1.1 . . . . 70.54 111.031 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.77 114.71 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 74.14 110.341 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.56 -120.79 6.04 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 41.31 111.013 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 -16.72 57.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.783 . . . . 63.04 109.268 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -67.66 -8.72 37.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 75.4 110.284 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.443 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 15.4 mt -110.54 30.15 7.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 61.51 109.313 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.6 t -89.49 -22.1 22.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 51.11 109.982 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.82 134.6 6.17 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.501 1.126 . . . . 61.51 111.049 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 39' ' ' ALA . 5.1 m -127.42 169.87 13.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.732 . . . . 72.11 110.408 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.3 mtm -116.58 127.11 54.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 71.11 111.013 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -99.24 124.86 44.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 74.03 110.285 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -118.16 149.17 41.52 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 73.34 110.995 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HB3' HG23 ' A' ' 70' ' ' THR . 0.0 OUTLIER -102.8 115.34 30.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 71.22 109.302 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.803 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.4 tm? -97.94 113.86 25.8 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 75.11 109.33 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.507 HD11 ' HD2' ' A' ' 23' ' ' LYS . 22.3 mt -113.78 124.78 70.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 55.25 109.299 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.803 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.94 110.6 20.78 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 74.31 109.314 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 -104.49 100.7 10.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 73.21 109.304 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.41 159.68 23.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.536 1.147 . . . . 60.23 110.998 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' N ' ' HE3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -73.66 -36.85 65.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 51.31 109.302 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.1 p -101.96 -23.86 14.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 62.32 110.415 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.614 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.95 107.22 8.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 65.33 109.303 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.7 pttp -133.79 123.63 25.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 72.24 109.303 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.31 -177.3 45.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.512 1.132 . . . . 52.21 110.979 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -139.69 168.83 18.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 0.782 . . . . 74.21 110.325 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.658 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.5 t -176.31 178.11 1.41 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.125 . . . . 74.4 110.411 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.504 HG22 ' CG ' ' A' ' 23' ' ' LYS . 13.2 p -147.0 153.99 40.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 74.24 110.418 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.0 t -146.27 151.05 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 73.42 110.412 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 92.9 m -112.54 135.56 53.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 43.44 108.347 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.646 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -145.44 152.39 39.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 64.4 109.272 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.98 -39.61 81.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 31.32 109.308 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -130.13 143.88 51.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 53.5 109.301 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.67 -18.67 13.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 44.35 109.264 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.32 -45.08 77.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 71.51 109.256 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.838 ' O ' HG23 ' A' ' 48' ' ' VAL . 29.6 m -67.85 -43.48 79.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 74.14 110.413 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.28 -37.07 84.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 71.14 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.6 tt0 -59.01 -51.53 69.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 74.33 110.298 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 44' ' ' THR . 8.3 ptmm? -61.36 -28.6 69.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 73.34 109.318 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.838 HG23 ' O ' ' A' ' 44' ' ' THR . 83.0 t -74.36 -40.06 49.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.147 . . . . 54.32 109.271 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.717 ' CD1' HD23 ' A' ' 24' ' ' LEU . 0.8 OUTLIER -68.73 -41.39 79.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 75.11 110.997 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.8 mttm -67.39 -34.19 76.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 73.51 109.298 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -73.78 -31.9 63.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 61.54 110.34 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.658 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -65.85 -52.47 50.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.169 . . . . 64.2 110.986 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.756 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.0 -37.9 84.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.115 . . . . 62.42 109.307 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -66.44 -34.02 77.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 75.11 109.28 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -69.24 -21.71 63.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 75.11 109.318 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.751 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.77 -18.96 22.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 73.53 109.29 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.48 11.21 84.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 71.13 111.009 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 54.1 t -95.8 132.63 39.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.529 0.782 . . . . 73.25 109.264 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -144.74 139.92 28.2 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 54.4 109.288 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -175.8 -120.34 0.6 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.516 1.135 . . . . 75.05 110.994 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -94.05 117.2 29.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.447 0.734 . . . . 74.04 110.318 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.756 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.7 m95 -99.88 124.83 45.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.969 -1.123 . . . . 74.13 107.969 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -135.61 133.31 38.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 72.33 110.399 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.4 t80 -132.87 138.37 46.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 73.11 111.024 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -117.24 108.2 15.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 74.23 109.345 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -62.34 -20.47 64.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.115 . . . . 72.53 109.318 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.0 -28.01 68.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 64.42 109.266 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.573 HG23 ' HB ' ' A' ' 70' ' ' THR . 3.3 t -136.28 11.47 3.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 65.41 110.363 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.1 OUTLIER 40.13 53.83 2.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.1 . . . . 74.24 109.242 179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.573 ' HB ' HG23 ' A' ' 68' ' ' THR . 8.9 m -126.78 137.73 53.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 72.42 110.423 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -117.02 141.07 48.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 65.23 110.997 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -132.54 132.19 42.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 71.4 110.352 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.72 118.31 56.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 62.12 109.317 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -106.2 118.89 37.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.145 . . . . 72.04 110.405 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 72.11 110.31 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.495 ' O ' ' CB ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.308 -0.997 . . . . 41.4 108.308 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 11' ' ' TYR . 63.1 m-85 -107.93 140.78 40.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 74.51 110.993 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.887 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -124.78 140.62 47.41 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.616 1.674 . . . . 70.33 109.34 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -103.61 136.08 43.99 Favored 'General case' 0 N--CA 1.49 1.572 0 CA-C-O 117.939 -1.029 . . . . 62.41 109.977 179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -106.24 17.28 23.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 74.41 110.399 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -111.1 -25.41 9.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 73.43 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.1 t-20 81.55 30.15 0.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 63.21 109.324 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.795 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 3.8 p30 -108.92 18.45 20.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 74.4 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 39.5 42.61 1.95 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 31.03 110.996 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.795 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 138.71 27.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 0.745 . . . . 70.11 109.309 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.599 ' CE1' ' O ' ' A' ' 2' ' ' TYR . 25.3 m-85 -99.3 117.29 33.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 74.23 110.976 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.5 116.1 2.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 74.12 110.336 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -120.15 6.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.453 1.095 . . . . 60.04 111.018 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -78.08 -16.88 57.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 0.771 . . . . 74.43 109.309 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -66.68 -10.4 46.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 72.32 110.299 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.3 mt -112.41 25.48 11.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.156 . . . . 60.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.2 m -89.22 -22.1 22.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 61.13 109.97 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.03 129.68 4.14 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.48 1.112 . . . . 72.41 110.953 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.887 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -123.95 176.65 6.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 0.77 . . . . 61.2 110.405 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 17.9 mtt -122.06 130.24 53.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 64.15 111.043 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -103.95 124.8 49.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 73.11 110.274 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -116.38 149.12 39.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 71.1 111.003 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.513 ' HB3' HG23 ' A' ' 70' ' ' THR . 14.4 tttt -102.61 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 63.1 109.291 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.815 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -96.05 113.73 25.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 74.53 109.305 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.588 ' N ' HD22 ' A' ' 24' ' ' LEU . 4.4 mt -112.17 123.33 67.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.31 109.339 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.815 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.72 110.9 21.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 74.44 109.343 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -102.9 100.56 10.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.535 1.147 . . . . 74.52 109.335 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -132.52 151.84 20.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.516 1.135 . . . . 71.45 110.986 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.7 mmpt? -69.41 -36.69 76.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 71.24 109.283 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.8 t -102.03 -23.84 14.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 73.15 110.4 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -130.89 105.88 8.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 74.05 109.279 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 ptmt -134.1 123.63 24.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 73.44 109.317 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.75 -178.68 43.88 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.514 1.134 . . . . 74.35 110.991 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -135.9 168.88 18.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 0.751 . . . . 71.14 110.292 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.691 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.1 t -178.45 175.98 1.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 63.01 110.398 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.5 p -145.44 157.15 44.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 74.43 110.403 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.4 t -146.49 152.2 38.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 1.085 . . . . 75.34 110.458 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.8 m -111.28 134.01 53.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 75.15 108.316 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.48 147.31 30.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 71.22 109.315 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.423 HG13 ' OD1' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -68.22 -39.12 80.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 70.31 109.319 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.423 ' OD1' HG13 ' A' ' 40' ' ' VAL . 63.1 m-20 -128.01 144.04 51.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.097 . . . . 74.2 109.309 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.75 -20.94 38.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 74.44 109.304 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.13 -43.84 81.37 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 31.21 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.7 m -69.88 -43.15 72.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 75.13 110.416 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.27 -37.37 86.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 43.42 109.325 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -57.97 -45.65 86.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 72.54 110.281 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -58.79 -47.56 84.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 74.33 109.277 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.61 -40.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 71.4 109.262 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.719 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.5 t80 -65.51 -39.15 91.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 73.14 111.013 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.477 ' NZ ' ' CE2' ' A' ' 49' ' ' PHE . 7.1 mmtm -71.89 -34.34 69.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 73.13 109.312 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -73.57 -27.89 61.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 71.51 110.261 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.691 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.21 -51.71 23.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 71.53 111.034 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.847 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -61.54 -35.47 77.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 73.45 109.313 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 46.0 m-20 -70.49 -33.35 71.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 75.44 109.323 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.45 -21.71 64.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 74.23 109.296 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.751 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -90.78 -18.89 24.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 53.53 109.281 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.73 16.07 80.44 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 43.45 111.044 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.776 HG13 ' CD ' ' A' ' 75' ' ' GLU . 75.9 t -105.05 132.65 51.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.515 0.773 . . . . 64.32 109.321 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -144.55 140.03 28.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 74.01 109.267 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -173.9 -116.97 0.45 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.437 1.085 . . . . 61.55 110.966 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -95.51 115.84 27.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.764 . . . . 74.12 110.297 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.847 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 17.3 m95 -98.87 124.88 44.08 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.008 -1.108 . . . . 72.32 108.008 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.8 t -136.78 133.37 35.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 72.1 110.377 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.688 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.2 t80 -130.72 139.25 50.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.02 110.995 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.17 108.4 15.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 72.42 109.342 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -63.35 -20.56 65.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 63.33 109.311 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.87 -27.86 65.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 73.3 109.329 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.454 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.0 t -139.3 13.04 2.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 65.14 110.385 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 65' ' ' ASP . 10.2 mmtm 40.28 58.49 2.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 61.04 109.279 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.528 ' CG2' HD12 ' A' ' 25' ' ' ILE . 13.4 m -130.53 137.29 49.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 63.11 110.375 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.688 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.62 141.21 48.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 74.0 111.003 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -131.31 131.64 43.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 72.33 110.434 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.88 118.38 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 62.31 109.318 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.13 119.59 39.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 44.12 110.371 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.776 ' CD ' HG13 ' A' ' 58' ' ' VAL . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 72.12 110.271 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.254 -1.017 . . . . 73.22 108.254 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.566 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 6.4 m-85 -61.87 166.2 4.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.128 . . . . 75.2 111.025 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.527 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.16 135.33 58.42 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.757 0 CA-C-O 123.603 1.668 . . . . 75.54 109.266 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 5' ' ' THR . 55.7 t0 -99.1 144.95 27.66 Favored 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 117.882 -1.056 . . . . 64.25 109.996 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.457 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.7 p -105.09 13.64 30.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 74.45 110.4 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.87 -20.63 12.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.113 . . . . 75.11 109.312 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.5 m120 71.61 24.61 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.464 1.103 . . . . 63.24 109.259 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -90.8 -23.68 20.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 64.34 109.283 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.74 33.84 8.17 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.54 1.15 . . . . 73.43 110.993 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.61 139.82 28.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 0.764 . . . . 54.01 109.313 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.26 115.12 29.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 74.1 110.998 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.48 115.4 3.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 75.21 110.293 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.88 -120.53 6.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.462 1.102 . . . . 43.12 110.999 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -78.1 -16.71 57.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.474 0.749 . . . . 71.24 109.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -67.84 -8.49 36.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.42 110.307 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.519 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 12.5 mt -111.49 32.94 5.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 64.24 109.313 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.4 t -88.93 -22.07 23.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 52.31 110.004 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.37 126.79 4.94 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.442 1.088 . . . . 62.23 111.051 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.626 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.4 m -119.5 167.28 12.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 0.737 . . . . 73.01 110.361 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.439 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.9 mtt -118.23 126.84 52.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 72.53 110.997 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -97.18 124.74 41.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 74.15 110.291 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.439 ' CE1' ' O ' ' A' ' 20' ' ' MET . 23.2 m-85 -115.51 149.15 38.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 74.53 110.972 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.444 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.0 OUTLIER -102.8 115.07 29.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 63.24 109.271 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.81 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.39 113.96 26.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 72.12 109.328 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.448 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.5 mt -113.97 124.63 70.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 72.15 109.299 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.81 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -112.46 110.85 21.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 72.41 109.318 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -104.24 100.69 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 52.12 109.312 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.92 154.88 21.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.499 1.124 . . . . 72.05 110.98 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.509 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -68.74 -36.76 78.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 0.751 . . . . 74.14 109.316 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 10.7 p -101.96 -23.73 14.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 60.35 110.415 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.678 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 104.25 7.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 73.22 109.339 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 pttm -133.69 123.72 25.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 34.44 109.279 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.07 -178.45 47.55 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.534 1.146 . . . . 73.2 111.018 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -136.05 168.91 18.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.459 0.741 . . . . 62.44 110.341 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.734 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.3 t -176.95 177.26 1.31 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.142 . . . . 74.12 110.347 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 35' ' ' THR . 11.4 p -147.02 155.28 42.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 75.41 110.415 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.6 t -146.37 151.45 37.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 71.23 110.421 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.5 m -112.26 135.77 52.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 65.5 108.329 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.946 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.3 155.48 42.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 41.4 109.268 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -69.87 -39.6 77.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 72.21 109.292 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -132.15 144.1 50.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 74.23 109.326 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.74 -20.6 22.9 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 21.01 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.417 ' C ' ' HZ2' ' A' ' 47' ' ' LYS . . . -66.98 -45.89 76.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 75.32 109.317 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.604 ' O ' HG23 ' A' ' 48' ' ' VAL . 2.2 m -70.51 -43.12 70.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 75.13 110.44 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.946 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -64.41 -37.28 86.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 62.31 109.303 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 50' ' ' LYS . 2.8 tp10 -57.79 -45.91 85.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 72.44 110.312 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HZ2' ' C ' ' A' ' 43' ' ' ALA . 29.0 mttp -59.39 -37.54 78.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 63.32 109.338 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 44' ' ' THR . 44.5 t -64.86 -42.88 96.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 74.23 109.269 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.801 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.5 OUTLIER -66.34 -41.91 88.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 73.11 111.019 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 46' ' ' GLU . 14.5 mtmt -65.46 -35.36 80.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 61.43 109.351 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.3 tp60 -73.9 -28.24 61.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 53.41 110.282 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.734 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.2 t80 -71.13 -52.31 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 60.11 110.991 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.04 -35.64 73.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 74.51 109.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -67.53 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 73.24 109.323 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.53 -21.67 65.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 70.12 109.273 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.13 -18.87 23.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.552 1.157 . . . . 75.34 109.275 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.7 27.05 74.12 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.542 1.151 . . . . 61.4 110.996 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.413 HG13 ' CG ' ' A' ' 75' ' ' GLU . 60.3 t -115.27 132.78 63.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 0.769 . . . . 72.52 109.249 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -144.58 137.36 26.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 72.22 109.251 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.15 -117.16 0.41 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.504 1.128 . . . . 71.55 111.022 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -94.85 112.74 24.45 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.768 . . . . 65.12 110.321 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.801 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.8 m95 -96.46 124.74 40.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 75.11 108.054 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -136.45 133.31 36.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 62.25 110.441 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.678 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.3 t80 -131.81 138.58 48.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 62.44 110.976 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.3 108.24 15.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 60.31 109.323 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -62.73 -20.49 64.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.107 . . . . 73.24 109.31 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.63 -29.26 66.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 71.22 109.275 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.538 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.8 t -138.05 13.27 2.86 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 70.25 110.397 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.2 mmtp 40.09 57.3 2.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 73.04 109.33 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.538 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.8 m -128.86 137.24 51.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 73.34 110.406 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.678 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.11 141.11 48.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.145 . . . . 74.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.27 130.78 43.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 64.23 110.391 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.44 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.97 118.54 57.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 71.43 109.273 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.09 119.12 38.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 52.32 110.401 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' CG ' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 73.03 110.326 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.4 p . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 108.299 -1.0 . . . . 65.42 108.299 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.558 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.4 m-85 -61.7 162.45 8.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 73.14 111.026 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.464 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.1 134.42 59.63 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.711 0 CA-C-O 123.655 1.693 . . . . 63.21 109.29 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 56.2 t0 -96.81 145.09 26.17 Favored 'General case' 0 N--CA 1.491 1.601 0 CA-C-O 117.899 -1.048 . . . . 75.32 109.976 179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 12.0 p -105.02 13.89 30.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.15 . . . . 42.02 110.427 -179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.14 -19.51 12.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 63.33 109.275 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 70.67 23.57 4.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 1.089 . . . . 74.34 109.298 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.515 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -89.49 -24.64 21.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 75.43 109.323 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.41 33.9 7.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 75.44 110.957 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.515 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 139.83 28.25 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.513 0.772 . . . . 53.24 109.339 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.558 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -100.23 114.6 28.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 72.05 111.03 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.438 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.64 114.89 3.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 65.22 110.265 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.75 -120.95 6.05 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.492 1.12 . . . . 61.3 111.019 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.17 -16.73 57.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 0.745 . . . . 73.23 109.274 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -66.86 -9.41 37.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.455 1.097 . . . . 75.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 10.1 mt -111.48 33.64 4.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 75.35 109.289 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 t -89.02 -22.13 23.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 41.23 109.99 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.96 125.54 4.79 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.513 1.133 . . . . 45.41 111.019 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 39' ' ' ALA . 0.9 OUTLIER -110.4 179.32 4.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 60.35 110.401 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.436 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.5 mtp -130.81 126.68 36.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 64.02 111.009 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -95.44 144.86 25.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 72.32 110.333 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.436 ' CE1' ' O ' ' A' ' 20' ' ' MET . 41.3 m-85 -137.86 148.89 45.81 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 72.21 111.003 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.538 ' HD3' HG22 ' A' ' 36' ' ' THR . 0.7 OUTLIER -102.9 114.98 29.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 70.22 109.285 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -98.53 112.99 24.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.05 109.296 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.489 ' N ' HD22 ' A' ' 24' ' ' LEU . 19.6 mt -113.04 124.99 70.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 70.13 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.04 110.74 20.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 65.03 109.341 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.27 100.74 10.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 62.12 109.324 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.98 152.54 20.58 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.493 1.121 . . . . 65.54 111.041 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.476 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.01 -36.71 82.75 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.474 0.749 . . . . 63.55 109.272 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 29.9 p -101.87 -23.68 14.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 74.13 110.393 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.604 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.88 105.64 7.9 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 73.04 109.244 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -133.7 123.67 25.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 70.34 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.09 -177.05 45.71 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.524 1.14 . . . . 64.1 110.968 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -138.7 168.93 18.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 64.54 110.273 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.723 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.48 176.7 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 75.01 110.402 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.538 HG22 ' HD3' ' A' ' 23' ' ' LYS . 5.3 p -144.45 152.77 41.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 63.13 110.413 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.2 t -146.45 150.99 36.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.459 1.099 . . . . 75.2 110.418 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 95.3 m -112.42 138.94 48.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 54.24 108.308 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.92 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.41 152.9 38.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.13 109.306 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -69.25 -39.55 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 70.24 109.314 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -130.87 143.87 51.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 74.45 109.313 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.29 40.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 31.34 109.286 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.35 -43.85 80.47 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 61.44 109.332 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 21.6 m -71.35 -43.15 67.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 54.33 110.379 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.92 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.26 -37.32 86.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.115 . . . . 62.53 109.32 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' CD ' ' NZ ' ' A' ' 50' ' ' LYS . 4.7 tt0 -58.84 -51.08 71.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 74.12 110.309 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -59.73 -29.78 68.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 74.14 109.276 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' THR . 40.4 t -71.86 -41.64 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 63.45 109.3 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.718 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.3 OUTLIER -68.61 -41.41 79.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 74.51 110.976 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' NZ ' ' CD ' ' A' ' 46' ' ' GLU . 38.6 mtmt -64.65 -35.93 82.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 74.31 109.293 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -73.7 -26.95 60.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.154 . . . . 71.31 110.311 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.723 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.4 t80 -69.3 -52.56 26.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 73.34 111.005 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.797 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.05 -36.91 78.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.128 . . . . 62.34 109.311 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -66.86 -37.15 83.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 64.44 109.298 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.27 -21.76 66.29 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.151 . . . . 74.4 109.316 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.745 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.55 -19.04 23.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.533 1.146 . . . . 72.24 109.295 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.64 28.76 66.73 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.551 1.157 . . . . 72.3 111.019 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.453 HG13 ' CG ' ' A' ' 75' ' ' GLU . 55.5 t -118.9 132.76 67.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 73.12 109.292 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -144.68 143.22 30.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 72.43 109.269 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.97 -117.65 0.52 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.126 . . . . 71.02 110.996 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -93.58 112.61 24.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 44.53 110.312 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.797 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 22.5 m95 -96.52 124.74 40.61 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 75.24 108.008 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.8 t -132.29 133.25 43.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 71.42 110.429 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.721 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.2 t80 -135.73 134.0 38.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 71.25 111.007 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 69' ' ' LYS . 4.0 m-20 -117.44 108.08 15.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 75.14 109.245 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -63.58 -20.35 65.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.144 . . . . 71.33 109.32 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.97 -29.73 69.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 43.13 109.263 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 68.4 p -133.83 11.56 3.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 75.14 110.412 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 40.08 57.27 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 74.33 109.304 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 16.6 m -130.55 137.81 49.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 72.03 110.404 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.721 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 2.9 m-85 -119.81 140.94 50.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 74.52 110.964 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.4 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -132.75 134.54 44.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 43.33 110.421 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.431 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.35 118.44 58.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 71.15 109.306 -179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.09 118.99 38.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 74.44 110.351 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.453 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.2 tm-20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.463 1.102 . . . . 74.15 110.307 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.404 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 31.1 p . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 108.293 -1.003 . . . . 71.41 108.293 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.571 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 94.3 m-85 -61.65 155.04 23.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 73.34 111.019 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.467 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -128.6 136.41 59.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.772 0 CA-C-O 123.607 1.67 . . . . 63.42 109.33 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.461 ' OD1' ' N ' ' A' ' 5' ' ' THR . 57.2 t0 -96.18 144.94 25.95 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 117.922 -1.037 . . . . 73.31 109.994 179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.461 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 81.1 p -104.98 13.95 30.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 72.23 110.413 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -111.32 -18.25 12.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 62.45 109.252 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 18.5 m-80 69.87 24.1 5.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 70.54 109.297 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.506 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -91.08 -24.0 20.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.132 . . . . 62.42 109.291 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.57 35.12 7.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.52 1.137 . . . . 54.03 111.012 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.506 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.72 141.27 29.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 54.14 109.315 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.571 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.8 m-85 -101.23 116.99 34.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 72.03 110.969 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -161.15 114.63 1.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 74.42 110.295 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.39 -120.0 5.84 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.466 1.104 . . . . 55.14 110.974 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -78.25 -16.68 57.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 0.752 . . . . 65.31 109.277 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -68.78 -7.64 35.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 74.41 110.297 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.453 ' CD2' ' HB3' ' A' ' 11' ' ' TYR . 19.1 mt -114.1 27.83 9.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 62.34 109.311 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -88.97 -22.19 23.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 70.32 109.999 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.62 131.67 4.96 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.505 1.128 . . . . 74.1 111.003 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.8 m -116.45 168.8 9.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 0.772 . . . . 62.32 110.398 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 22' ' ' TYR . 59.2 mtp -118.19 126.84 53.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 52.45 110.957 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -99.04 125.42 44.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 73.2 110.325 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.404 ' CZ ' ' HB2' ' A' ' 20' ' ' MET . 33.3 m-85 -117.72 149.11 41.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 64.03 111.001 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.532 ' CG ' HG22 ' A' ' 36' ' ' THR . 1.7 ttmt -102.69 115.32 30.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 65.41 109.281 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.819 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.7 tm? -95.28 114.03 25.77 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 73.55 109.31 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.536 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -113.52 125.6 70.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 62.53 109.317 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.819 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -113.85 110.96 20.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 72.4 109.345 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -103.33 100.44 10.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 74.5 109.285 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.86 157.52 23.05 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.14 . . . . 53.13 111.014 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -73.99 -36.42 64.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.756 . . . . 51.45 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 13.3 t -102.03 -23.69 14.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 54.44 110.384 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.75 103.84 6.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 64.14 109.325 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -134.14 123.75 24.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 73.35 109.264 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.8 -172.32 39.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.451 1.094 . . . . 54.55 111.025 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -140.37 168.87 18.79 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 0.781 . . . . 71.22 110.286 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.886 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.5 OUTLIER 179.93 174.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 44.53 110.372 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.532 HG22 ' CG ' ' A' ' 23' ' ' LYS . 15.2 p -146.25 156.55 43.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.15 110.405 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.3 t -146.43 151.76 37.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 63.41 110.385 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 99.2 m -111.92 133.98 53.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 74.0 108.287 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.618 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.39 144.83 28.97 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 71.13 109.3 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.5 m -68.08 -28.45 41.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 64.03 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -136.65 143.58 43.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 75.53 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.09 -20.21 24.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 72.25 109.286 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.21 -45.96 75.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 61.42 109.312 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.615 ' HB ' ' HB1' ' A' ' 39' ' ' ALA . 28.6 m -65.47 -43.22 90.98 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 63.13 110.433 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.49 -37.16 86.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.14 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.14 -44.11 92.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 73.04 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 35.1 mttm -58.91 -50.67 73.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 62.33 109.278 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 62.7 t -60.28 -38.92 79.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 72.32 109.334 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.754 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.47 -41.08 96.71 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 62.51 111.005 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.46 -33.74 69.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 73.42 109.302 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -71.84 -31.84 66.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 74.43 110.314 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.886 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.8 OUTLIER -71.15 -52.45 19.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 74.34 110.988 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.633 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.41 -34.92 73.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 61.2 109.309 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -69.37 -38.7 78.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 70.34 109.268 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -63.59 -21.57 66.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 75.24 109.324 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.97 -18.93 22.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 54.53 109.283 -179.961 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.27 22.25 74.46 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.446 1.091 . . . . 74.12 111.008 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.615 HG13 ' HG3' ' A' ' 75' ' ' GLU . 72.2 t -109.74 132.61 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 71.33 109.286 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -144.64 133.51 22.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 65.22 109.325 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.94 -115.51 0.33 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.501 1.126 . . . . 70.23 110.979 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 57.8 tt0 -97.63 113.2 24.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 0.74 . . . . 73.44 110.35 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.754 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.2 m95 -95.81 124.8 39.99 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 71.1 108.006 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -136.25 133.26 36.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 52.43 110.414 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.728 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.2 t80 -131.41 139.71 49.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 72.12 110.973 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 69' ' ' LYS . 8.4 m-20 -117.13 108.28 15.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 63.23 109.333 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -63.24 -20.43 65.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 63.31 109.308 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.45 -29.15 68.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 71.21 109.327 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 82.0 p -135.68 11.83 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 53.33 110.402 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.01 58.28 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 75.25 109.322 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.536 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.7 m -131.7 137.65 48.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 61.43 110.405 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.728 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.4 m-85 -115.66 141.17 48.43 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 72.12 111.053 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -131.2 133.09 45.17 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 54.01 110.424 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.429 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.87 118.44 57.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.531 1.144 . . . . 70.44 109.295 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.3 121.06 44.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 74.44 110.396 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.615 ' HG3' HG13 ' A' ' 58' ' ' VAL . 5.6 tm-20 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 73.4 110.261 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 108.294 -1.002 . . . . 61.14 108.294 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 32.6 m-85 -106.98 152.27 24.19 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 74.24 111.011 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.963 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.09 127.61 58.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.642 1.687 . . . . 75.24 109.321 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 66.6 t0 -86.27 137.19 32.8 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 117.918 -1.039 . . . . 72.15 109.995 179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.35 18.55 22.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 72.2 110.426 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -113.51 -13.99 12.75 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 51.21 109.283 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 68.54 26.18 6.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 74.51 109.27 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.9 OUTLIER -96.18 -26.13 15.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 75.33 109.31 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.16 39.03 5.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.539 1.15 . . . . 42.4 111.012 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.75 146.62 32.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 0.777 . . . . 71.53 109.283 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 21.9 m-85 -107.02 113.88 27.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 73.32 110.993 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.19 114.8 1.98 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.54 110.305 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.82 -117.32 5.12 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.518 1.136 . . . . 71.34 111.03 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -78.25 -16.88 57.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 0.75 . . . . 72.04 109.315 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 23.2 mt-10 -72.85 -4.37 31.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 63.34 110.277 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 28.6 mt -115.88 27.06 9.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 64.25 109.29 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.5 t -88.87 -22.06 23.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 72.12 110.022 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 119.28 130.06 4.02 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.512 1.132 . . . . 73.32 111.009 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.963 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.2 m -132.23 176.23 8.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.452 0.736 . . . . 63.32 110.408 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.1 mtp -120.25 129.39 54.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 74.41 110.996 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.63 124.81 50.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 71.14 110.328 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.568 ' HB3' ' CE2' ' A' ' 71' ' ' PHE . 5.6 m-85 -116.69 149.79 39.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 71.14 110.997 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.441 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.0 OUTLIER -103.31 115.41 30.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.133 . . . . 63.3 109.307 -179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.809 ' CD1' HD11 ' A' ' 26' ' ' LEU . 2.0 tm? -98.34 117.24 32.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 75.31 109.327 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.496 HD12 ' CG2' ' A' ' 70' ' ' THR . 14.3 mt -116.66 121.9 68.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 71.45 109.31 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD11 ' CD1' ' A' ' 24' ' ' LEU . 1.0 OUTLIER -110.29 110.31 21.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 73.34 109.372 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -104.12 100.78 10.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 72.41 109.314 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.56 157.17 23.11 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.473 1.108 . . . . 74.12 111.036 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 3.9 mmpt? -70.53 -36.43 73.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 0.774 . . . . 74.32 109.356 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 26.3 p -101.85 -23.71 14.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 71.15 110.368 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.89 104.69 7.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 1.16 . . . . 64.45 109.296 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -133.77 123.72 25.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 72.13 109.316 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.97 -179.33 48.8 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 61.21 111.016 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -135.82 168.9 18.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 0.763 . . . . 70.21 110.356 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.567 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.0 t -176.41 179.39 1.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.44 110.355 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -146.84 156.85 43.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 70.41 110.402 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.55 152.12 38.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 63.45 110.393 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.0 m -111.54 134.0 53.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 74.42 108.331 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.647 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.52 147.26 29.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 72.41 109.325 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.37 -36.57 75.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 63.32 109.296 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -129.99 143.98 51.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 71.35 109.29 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.29 -20.12 40.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 55.4 109.292 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.29 -40.3 86.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.31 109.293 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.888 ' O ' HG23 ' A' ' 48' ' ' VAL . 62.9 m -71.68 -43.46 65.98 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 72.31 110.394 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.3 -36.84 83.99 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.439 1.087 . . . . 60.03 109.254 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -60.5 -51.97 67.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 73.34 110.239 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -60.36 -28.65 68.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 75.41 109.298 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 44' ' ' THR . 91.8 t -74.34 -40.37 49.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 62.11 109.292 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.745 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.4 OUTLIER -68.57 -41.21 80.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 73.22 111.022 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' CZ3' ' A' ' 62' ' ' TRP . 29.8 mmtt -65.92 -35.49 80.78 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.46 1.1 . . . . 61.11 109.344 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -73.59 -27.41 61.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 73.33 110.283 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.567 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.25 -52.42 19.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.159 . . . . 75.13 110.995 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.755 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.29 -35.29 75.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 1.103 . . . . 72.41 109.257 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -67.74 -41.17 83.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 63.32 109.298 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.07 -21.57 65.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 73.55 109.296 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.758 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.95 -18.95 22.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 63.41 109.333 179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.23 20.47 78.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 65.52 111.029 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -106.98 132.77 53.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.513 0.772 . . . . 70.31 109.302 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -144.46 138.09 27.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 52.31 109.278 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -172.43 -119.59 0.53 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.505 1.128 . . . . 65.22 111.014 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 31.5 tp10 -92.1 112.24 24.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 0.779 . . . . 75.15 110.343 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.755 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 20.4 m95 -96.19 124.75 40.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 71.55 108.04 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.4 t -136.9 133.1 35.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.14 . . . . 63.44 110.439 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.403 ' HA ' ' O ' ' A' ' 70' ' ' THR . 1.9 t80 -129.09 137.96 51.56 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 75.43 111.031 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.441 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -116.37 108.21 15.78 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 35.24 109.287 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -65.46 -20.27 66.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 74.32 109.324 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.32 -27.45 64.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 71.13 109.344 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LYS . 70.9 p -142.53 14.95 1.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 61.24 110.401 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 65' ' ' ASP . 8.4 mmtm 39.7 62.89 1.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 75.1 109.295 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.496 ' CG2' HD12 ' A' ' 25' ' ' ILE . 3.2 m -130.75 137.57 49.55 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 74.41 110.389 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.568 ' CE2' ' HB3' ' A' ' 22' ' ' TYR . 1.6 m-85 -110.96 141.44 44.42 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 63.23 110.979 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.0 m -133.2 123.2 25.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 54.04 110.371 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.427 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.86 118.09 56.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 45.21 109.294 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -110.76 118.95 37.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 64.13 110.456 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 75.3 110.286 -179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 1' ' ' CYS . 1.9 t . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 108.245 -1.02 . . . . 63.43 108.245 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 13.0 m-30 -61.89 153.25 29.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 72.02 110.965 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.32 127.2 56.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 CA-C-O 123.658 1.694 . . . . 71.33 109.291 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -89.0 137.92 31.88 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 117.898 -1.049 . . . . 64.42 109.988 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 79.9 p -106.75 17.72 22.81 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.118 . . . . 73.0 110.41 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.528 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 9.2 m120 -110.68 -27.93 8.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 74.11 109.318 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.528 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 4.3 m120 83.9 22.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 61.54 109.289 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -83.61 -15.57 48.53 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.445 1.09 . . . . 74.21 109.336 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.19 22.14 63.69 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.456 1.097 . . . . 63.44 111.005 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -144.99 155.55 43.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 0.747 . . . . 71.44 109.28 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 19.8 m-85 -106.85 118.59 37.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 74.34 111.008 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 1.5 pm0 -156.34 119.38 4.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 71.43 110.349 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 106.47 -115.65 4.8 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.501 1.125 . . . . 64.41 110.988 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -78.18 -16.86 57.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 0.788 . . . . 72.13 109.332 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -72.71 -3.66 26.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 75.31 110.328 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 2' ' ' TYR . 57.7 mt -110.99 19.55 18.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 75.52 109.312 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 t -90.39 -22.3 21.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 45.44 110.023 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 108.89 135.39 7.39 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 71.01 111.002 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.758 HG22 ' O ' ' A' ' 39' ' ' ALA . 2.1 m -117.29 -175.78 2.87 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 0.762 . . . . 72.44 110.403 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.539 ' H ' HG22 ' A' ' 19' ' ' THR . 10.0 mtt -129.68 131.23 46.31 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 61.55 110.982 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -101.42 124.61 47.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 72.35 110.322 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 16.3 m-85 -117.11 149.44 40.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.114 . . . . 60.23 110.978 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.472 ' HG3' HG22 ' A' ' 36' ' ' THR . 1.4 ttmm -102.58 115.19 30.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 65.35 109.319 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.1 tm? -95.89 113.78 25.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 72.24 109.317 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.569 HD12 ' CG2' ' A' ' 70' ' ' THR . 5.5 mt -112.26 125.5 69.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 74.24 109.315 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -114.84 110.72 20.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 73.03 109.285 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -101.67 100.48 10.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 64.41 109.314 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.13 154.09 21.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.498 1.124 . . . . 61.25 110.96 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.471 ' HA ' ' HZ3' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -72.28 -36.59 69.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.766 . . . . 72.22 109.334 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.3 t -102.12 -23.78 14.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 64.01 110.443 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 103.89 6.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.108 . . . . 71.22 109.307 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -134.17 123.62 24.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 75.1 109.285 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.41 -175.6 41.29 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.46 1.1 . . . . 43.34 110.953 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -137.04 168.89 18.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 0.742 . . . . 73.1 110.307 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.763 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 0.3 OUTLIER -179.15 174.88 1.01 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 71.41 110.422 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.475 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.3 p -146.27 155.81 42.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.118 . . . . 72.0 110.394 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.4 t -146.54 151.96 38.18 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 71.34 110.382 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -111.68 133.98 53.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 53.41 108.295 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.786 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.29 159.19 43.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 44.45 109.309 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -77.87 -39.57 26.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 71.21 109.279 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -130.64 143.56 50.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 73.4 109.303 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.83 -21.74 44.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 72.11 109.26 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -43.49 81.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 74.14 109.304 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.6 m -71.58 -43.13 66.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 75.4 110.398 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.786 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -63.74 -36.4 83.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 64.2 109.279 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 21.4 tt0 -57.19 -34.71 68.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 72.25 110.303 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.441 ' HA ' ' NZ ' ' A' ' 47' ' ' LYS . 0.0 OUTLIER -61.39 -51.14 70.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 54.2 109.315 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.9 t -62.73 -42.83 97.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 61.21 109.33 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.67 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.3 t80 -60.25 -40.84 91.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 73.23 110.985 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmtp -72.99 -36.57 67.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 74.23 109.298 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -70.06 -27.11 64.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 71.44 110.268 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.763 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.32 -52.41 18.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.14 . . . . 71.13 111.016 179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.753 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.82 -35.17 74.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 42.13 109.299 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -67.93 -41.43 82.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 52.23 109.302 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -61.86 -21.49 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 74.13 109.287 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.753 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.52 -18.87 22.59 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.444 1.09 . . . . 70.23 109.289 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.79 13.56 75.25 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.463 1.102 . . . . 53.22 111.011 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 HG13 ' HG3' ' A' ' 75' ' ' GLU . 91.9 t -101.09 132.71 46.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.457 0.739 . . . . 75.4 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -144.63 134.35 23.57 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 72.42 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -166.72 -118.14 0.43 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 71.31 111.03 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.0 tp10 -95.83 116.6 29.14 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.492 0.76 . . . . 65.22 110.297 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 15.7 m95 -99.0 124.88 44.28 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.003 -1.11 . . . . 73.32 108.003 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.4 t -137.08 133.3 35.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 64.34 110.415 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.597 ' CD2' ' CZ ' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -129.94 139.93 51.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 72.24 110.971 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.6 OUTLIER -117.18 108.2 15.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.549 1.156 . . . . 72.33 109.34 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD1' ' NZ ' ' A' ' 69' ' ' LYS . 8.7 t70 -63.19 -20.49 65.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 61.34 109.279 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.84 -29.08 66.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 72.22 109.308 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 69' ' ' LYS . 60.4 p -138.29 13.23 2.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 70.33 110.398 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.8 mmtt 40.0 59.82 1.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 70.21 109.295 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.569 ' CG2' HD12 ' A' ' 25' ' ' ILE . 2.5 m -132.2 137.73 47.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 62.44 110.414 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.597 ' CZ ' ' CD2' ' A' ' 64' ' ' TYR . 4.5 m-85 -114.71 141.12 48.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 74.43 111.002 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -130.58 129.52 42.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 64.34 110.37 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.75 118.26 56.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 75.32 109.304 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.7 m -109.81 121.78 46.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 75.0 110.416 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.506 ' HG3' HG13 ' A' ' 58' ' ' VAL . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 63.05 110.32 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.31 -0.996 . . . . 72.3 108.31 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.573 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 42.0 m-85 -106.99 150.8 26.1 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 71.41 111.024 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.84 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -131.97 135.73 58.01 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.599 1.666 . . . . 50.54 109.312 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -95.43 136.66 35.52 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-O 117.862 -1.066 . . . . 62.34 109.972 179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.6 p -106.11 18.1 22.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 62.21 110.407 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.51 -20.41 12.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 71.23 109.292 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.9 m120 74.73 32.4 0.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 72.23 109.328 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.501 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -103.05 -28.75 11.79 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.145 . . . . 71.11 109.287 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.98 37.86 5.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.465 1.103 . . . . 72.12 111.031 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.501 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 143.85 30.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 0.759 . . . . 74.15 109.317 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.573 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 23.8 m-85 -101.91 113.95 27.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 71.52 110.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.35 115.1 2.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 73.2 110.305 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.47 -118.75 5.61 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.512 1.133 . . . . 73.04 110.995 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -78.13 -16.92 57.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 75.11 109.313 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -70.2 -7.5 42.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 75.05 110.284 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.0 mt -111.81 25.65 11.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 61.54 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.5 p -88.92 -22.69 22.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 72.15 110.034 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.62 134.92 5.46 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.52 1.138 . . . . 73.01 110.964 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.84 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -129.81 172.97 11.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 72.23 110.437 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 32.8 mtt -117.61 131.29 56.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.11 110.991 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -104.45 124.77 49.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 70.32 110.305 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.496 ' CE1' ' HB2' ' A' ' 45' ' ' ALA . 6.4 m-85 -115.48 149.26 38.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 60.45 111.022 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.438 ' HG3' HG22 ' A' ' 36' ' ' THR . 0.4 OUTLIER -102.55 115.22 30.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 71.22 109.276 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.817 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -98.99 113.91 26.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 64.4 109.281 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.505 ' N ' HD22 ' A' ' 24' ' ' LEU . 17.3 mt -113.73 123.42 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 63.04 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -111.39 110.61 21.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 65.24 109.331 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -104.28 100.77 10.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 70.42 109.329 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 157.25 23.0 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 32.02 110.975 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.493 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.0 mmpt? -70.95 -36.55 72.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 0.778 . . . . 73.43 109.246 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.2 t -101.82 -23.7 14.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 74.45 110.445 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.8 7.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 75.33 109.299 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -133.79 123.64 25.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 73.42 109.345 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -179.92 178.28 48.47 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 71.35 111.002 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -132.41 168.92 17.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 0.749 . . . . 62.43 110.337 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.694 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.5 t -176.22 178.1 1.44 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 73.14 110.342 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.479 ' N ' ' OG1' ' A' ' 35' ' ' THR . 8.3 p -146.88 156.17 42.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 65.43 110.41 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.4 t -146.49 152.37 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 74.31 110.418 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.5 m -111.29 133.77 53.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 61.32 108.288 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.661 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.61 139.76 24.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.101 . . . . 54.12 109.29 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.2 m -68.15 -25.86 32.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 64.3 109.304 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -134.95 143.39 46.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 63.01 109.316 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.43 -20.24 43.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 63.54 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.58 -39.25 84.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 74.4 109.311 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.776 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.1 m -73.0 -43.71 61.85 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 72.4 110.387 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.661 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.76 -37.45 86.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 73.44 109.304 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -67.81 -49.0 64.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 70.04 110.309 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -58.11 -33.93 69.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 63.31 109.337 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 44' ' ' THR . 76.9 t -74.35 -39.89 49.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 75.21 109.352 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.741 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.9 OUTLIER -65.54 -37.49 86.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 74.13 110.968 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -71.55 -34.0 69.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 71.32 109.36 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -73.67 -29.36 62.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 74.2 110.315 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.694 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.23 -52.16 20.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 71.43 111.007 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.716 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -61.42 -35.67 78.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 74.53 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 16.5 t30 -69.0 -35.26 76.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 73.42 109.278 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.98 -21.5 65.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 61.43 109.266 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.96 -18.91 23.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.101 . . . . 70.3 109.281 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.71 18.12 77.12 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.523 1.139 . . . . 55.32 111.003 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 72.6 t -104.56 132.77 50.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 0.775 . . . . 53.4 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -144.54 138.25 27.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 71.22 109.314 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.41 -118.65 0.48 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.506 1.129 . . . . 32.22 110.993 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -93.77 112.83 24.76 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.498 0.764 . . . . 54.21 110.277 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.741 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 19.5 m95 -96.27 124.82 40.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 73.43 108.028 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.9 t -134.57 133.26 40.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.106 . . . . 74.13 110.435 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.699 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -133.79 136.21 44.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 74.43 110.988 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.422 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.33 108.21 15.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 70.15 109.239 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -61.78 -20.43 63.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 64.5 109.27 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.49 -27.48 64.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 50.13 109.303 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.2 t -140.94 14.03 2.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 73.35 110.429 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 65' ' ' ASP . 7.5 mmmt 39.71 53.89 2.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.122 . . . . 65.31 109.294 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 3.5 m -124.02 135.47 53.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 73.14 110.33 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.699 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.04 140.95 48.75 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 72.21 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -131.46 130.29 42.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 73.4 110.373 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -110.0 118.51 57.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.14 . . . . 65.21 109.278 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -109.87 119.04 38.1 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.499 1.124 . . . . 54.45 110.405 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 71.22 110.233 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.312 -0.995 . . . . 62.35 108.312 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 51.3 m-85 -61.78 162.3 8.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 62.44 111.016 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.03 135.62 58.11 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.748 0 CA-C-O 123.615 1.674 . . . . 63.25 109.314 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 5' ' ' THR . 62.0 t0 -95.39 144.68 25.72 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 117.841 -1.076 . . . . 75.44 110.001 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.456 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.8 p -105.86 14.34 28.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 55.01 110.373 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -110.86 -20.76 12.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 62.51 109.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 73.02 29.91 1.72 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 55.51 109.292 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.52 -24.03 14.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 71.33 109.302 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 37.51 6.78 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 65.01 111.042 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.491 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.65 139.4 28.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 75.31 109.294 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.1 m-85 -99.99 115.36 29.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.52 111.012 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -160.73 114.79 2.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 73.5 110.262 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.75 -119.64 5.84 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.513 1.133 . . . . 45.32 111.025 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -78.19 -16.58 57.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 72.45 109.299 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -70.42 -6.11 33.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.04 110.312 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.473 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 19.2 mt -114.11 28.66 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 72.42 109.321 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.2 m -88.95 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 42.24 110.001 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 113.78 129.16 4.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.517 1.136 . . . . 41.34 111.006 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.472 HG21 ' CG2' ' A' ' 3' ' ' VAL . 2.7 m -118.42 168.79 10.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 0.793 . . . . 64.55 110.362 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.7 mtt -120.28 129.39 54.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 52.11 111.037 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -99.06 124.53 44.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 73.24 110.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -115.31 149.64 37.53 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 75.33 111.014 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.512 ' HD3' HD11 ' A' ' 25' ' ' ILE . 16.8 tttt -102.28 115.28 30.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 74.45 109.287 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.75 115.01 27.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 65.42 109.292 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.512 HD11 ' HD3' ' A' ' 23' ' ' LYS . 17.4 mt -115.34 122.59 69.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 54.45 109.299 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.798 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -109.89 110.39 21.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 75.23 109.277 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -104.41 100.42 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 65.12 109.293 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.7 161.43 24.51 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.536 1.148 . . . . 54.03 110.991 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.2 mmtp -74.29 -36.66 63.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 0.767 . . . . 73.31 109.255 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 14.5 t -102.08 -23.52 14.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 71.24 110.407 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.66 104.78 7.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 62.13 109.274 -179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.3 pttt -133.94 123.73 25.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 74.43 109.323 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.75 -177.22 47.22 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 62.03 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.406 ' O ' ' HB ' ' A' ' 35' ' ' THR . 4.8 pt-20 -137.85 168.95 18.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 65.43 110.28 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.4 t -177.71 179.4 0.9 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 75.01 110.375 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.2 p -146.6 156.76 43.46 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 65.43 110.425 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.3 t -146.48 152.05 38.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 74.14 110.402 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 52.1 m -111.67 134.08 53.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 65.2 108.29 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.927 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.91 145.73 29.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 72.13 109.288 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.425 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.3 m -68.02 -34.42 66.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 75.4 109.308 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -134.72 143.45 47.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 73.13 109.316 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.35 -22.8 54.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.138 . . . . 65.31 109.323 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -41.54 85.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.436 1.085 . . . . 75.03 109.273 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -73.06 -42.15 63.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 74.12 110.376 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.927 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.21 -36.53 84.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 63.44 109.251 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 27.7 tt0 -57.4 -35.12 69.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 75.43 110.341 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -66.72 -39.49 88.02 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 74.1 109.315 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.1 t -70.32 -39.41 76.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 73.23 109.303 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.713 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -67.28 -41.13 85.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 71.11 111.004 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 12.3 mmtt -71.97 -33.89 68.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 72.41 109.312 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.9 tp-100 -71.13 -30.34 66.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.31 110.331 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.58 ' HD2' HD21 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -70.95 -52.37 20.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.554 1.159 . . . . 75.55 111.007 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.615 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.15 -34.81 72.51 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 51.11 109.276 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -69.61 -38.87 77.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 64.32 109.266 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -64.78 -21.72 66.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 1.162 . . . . 74.32 109.316 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.754 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.93 22.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 64.13 109.289 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.44 19.72 72.93 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.139 . . . . 44.34 110.955 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.895 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.0 t -105.43 132.67 51.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 0.758 . . . . 73.25 109.292 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -144.7 132.84 21.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 65.41 109.256 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.67 -116.59 0.37 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 63.24 110.999 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -97.77 113.34 25.1 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 0.741 . . . . 72.21 110.273 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.713 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 16.3 m95 -95.45 124.87 39.7 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.964 -1.124 . . . . 74.32 107.964 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -134.9 133.26 39.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 74.21 110.354 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.674 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.5 t80 -131.93 138.21 48.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 73.31 110.988 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.434 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.22 108.34 15.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 71.44 109.288 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -62.89 -20.44 65.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 72.41 109.272 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.88 -28.74 66.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 74.24 109.287 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.514 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.4 t -138.26 12.94 2.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 74.11 110.382 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.4 mmtt 40.24 57.01 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 71.34 109.327 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.514 ' HB ' HG23 ' A' ' 68' ' ' THR . 2.2 m -128.74 137.49 51.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 74.12 110.427 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.674 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -116.39 140.98 48.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 71.1 110.98 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.425 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.1 m -131.42 132.48 44.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 71.25 110.381 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -109.88 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 72.24 109.263 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.46 119.95 41.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.155 . . . . 73.15 110.396 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.895 ' CD ' HG13 ' A' ' 58' ' ' VAL . 18.5 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 52.31 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.285 -1.006 . . . . 70.01 108.285 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 28.4 m-85 -61.64 169.04 2.59 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.13 . . . . 64.25 110.988 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.9 136.83 57.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.702 0 CA-C-O 123.597 1.665 . . . . 62.54 109.337 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -96.24 137.95 34.55 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 117.87 -1.062 . . . . 75.53 109.995 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p -106.63 18.36 22.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 73.42 110.426 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.38 -25.34 9.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 1.152 . . . . 63.43 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 5.0 t-20 81.71 30.28 0.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 52.51 109.305 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.48 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -103.45 -29.94 10.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.531 1.144 . . . . 73.1 109.251 -179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.65 39.21 5.04 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.505 1.128 . . . . 51.01 110.971 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.48 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.67 149.47 35.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 0.772 . . . . 74.44 109.29 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.81 ' C ' HD21 ' A' ' 16' ' ' LEU . 22.3 m-85 -105.59 115.47 30.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 71.33 111.006 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.585 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.4 OUTLIER -163.83 114.25 1.31 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 62.12 110.278 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.27 -117.94 5.05 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.53 1.144 . . . . 52.11 111.009 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -78.1 -16.82 57.65 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 0.773 . . . . 65.43 109.293 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -70.72 -5.72 31.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 60.45 110.339 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.81 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.6 mt -104.68 28.8 6.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 64.41 109.33 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.4 t -88.85 -22.07 23.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 73.33 109.991 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.3 133.47 8.13 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.526 1.141 . . . . 75.23 110.991 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.478 HG22 ' C ' ' A' ' 39' ' ' ALA . 1.5 m -114.46 174.29 6.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 0.759 . . . . 74.35 110.429 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.8 mtp -122.64 126.81 48.38 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 74.12 111.039 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -100.51 125.75 46.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 75.11 110.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -119.12 149.35 41.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 75.43 111.031 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.624 ' HD2' HD11 ' A' ' 25' ' ' ILE . 14.7 ttpt -102.04 115.15 29.93 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.157 . . . . 61.41 109.293 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.3 tm? -97.64 113.24 24.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 54.41 109.267 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.624 HD11 ' HD2' ' A' ' 23' ' ' LYS . 20.3 mt -113.16 126.84 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.32 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.801 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -114.13 110.95 20.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 73.11 109.309 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -104.16 100.66 10.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 65.12 109.254 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.58 156.87 22.67 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.431 1.082 . . . . 40.42 111.046 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.5 mmpt? -71.15 -36.67 72.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 0.782 . . . . 72.51 109.275 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 9.9 t -101.96 -23.75 14.09 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.443 1.09 . . . . 72.45 110.402 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.717 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.8 105.11 7.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 54.42 109.306 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -133.9 123.75 25.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.448 1.092 . . . . 72.04 109.308 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.7 -178.16 47.06 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.515 1.134 . . . . 75.34 110.99 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -136.67 168.95 18.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 0.771 . . . . 75.22 110.319 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.82 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.7 OUTLIER -176.9 176.43 1.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 73.33 110.369 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.488 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.0 p -144.83 156.22 43.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 71.1 110.431 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 12.2 t -146.57 152.24 38.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 53.4 110.393 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.0 m -111.36 133.77 53.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 72.22 108.342 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.672 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.4 143.0 27.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 75.12 109.299 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -67.88 -28.04 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.118 . . . . 61.04 109.332 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -136.56 143.36 43.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 75.2 109.268 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.29 -20.68 29.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.24 109.301 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.469 ' HB1' ' HZ1' ' A' ' 47' ' ' LYS . . . -67.37 -45.91 74.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.12 109.269 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -65.48 -43.19 91.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 54.44 110.428 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.672 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.37 -37.24 86.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 44.42 109.301 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -59.09 -45.19 91.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 62.34 110.307 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' HZ1' ' HB1' ' A' ' 43' ' ' ALA . 19.2 mttp -58.15 -47.91 81.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 73.23 109.319 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.22 -44.76 96.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 61.33 109.294 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.729 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -60.91 -40.21 92.28 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 63.14 111.03 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.52 ' HE2' ' CZ3' ' A' ' 62' ' ' TRP . 13.5 mmtt -71.98 -33.92 68.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 62.13 109.286 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -73.72 -30.1 62.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 1.138 . . . . 54.04 110.264 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.82 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -71.15 -52.1 21.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 63.42 110.974 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.623 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.7 -36.0 75.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 51.21 109.28 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -67.93 -38.59 83.08 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 74.55 109.326 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -64.69 -21.62 66.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 64.25 109.323 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.75 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.75 -18.97 22.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 75.42 109.274 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.09 25.85 74.29 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.539 1.149 . . . . 64.03 110.958 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.541 HG13 ' CG ' ' A' ' 75' ' ' GLU . 62.8 t -112.57 132.84 60.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.526 0.78 . . . . 75.32 109.281 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -144.43 137.24 26.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 74.41 109.32 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -169.6 -116.19 0.36 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 32.2 110.962 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -97.07 112.93 24.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 72.04 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.729 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 18.6 m95 -95.54 124.79 39.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 75.33 108.027 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.3 t -133.23 133.19 42.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.434 1.084 . . . . 61.35 110.379 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.779 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.6 t80 -134.38 136.6 43.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 75.45 111.02 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.7 m-20 -117.32 108.13 15.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 51.04 109.294 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.489 ' CG ' ' HZ3' ' A' ' 69' ' ' LYS . 10.1 t0 -62.13 -20.45 64.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 75.33 109.24 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.42 -26.33 67.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 74.31 109.308 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.504 HG23 ' HB ' ' A' ' 70' ' ' THR . 1.7 t -137.82 11.57 2.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 52.41 110.399 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' HZ3' ' CG ' ' A' ' 66' ' ' ASP . 1.8 mptp? 39.95 51.06 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 73.24 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.504 ' HB ' HG23 ' A' ' 68' ' ' THR . 15.7 m -123.26 137.65 54.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 73.34 110.432 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.779 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -118.43 140.94 49.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 60.32 111.0 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -132.41 134.14 44.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 74.1 110.397 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -111.52 118.75 58.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 72.54 109.32 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.43 120.12 41.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 62.54 110.423 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.541 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.3 tm-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 71.53 110.263 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 108.303 -0.999 . . . . 54.13 108.303 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.574 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 29.0 m-85 -106.28 153.34 22.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 74.04 111.049 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' CG2' HG21 ' A' ' 19' ' ' THR . 1.7 t -132.05 133.57 60.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.707 0 CA-C-O 123.58 1.657 . . . . 73.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 5' ' ' THR . 53.5 t0 -97.45 144.59 27.03 Favored 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 117.902 -1.047 . . . . 74.33 109.981 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 68.2 p -105.99 14.09 28.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 54.23 110.404 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.476 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.88 -26.2 9.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.21 109.325 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.476 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.2 t-20 79.94 30.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 51.14 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.823 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 4.8 p30 -107.45 19.81 19.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 71.01 109.311 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 41.94 40.89 3.38 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 75.05 111.059 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.823 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.64 132.06 20.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.578 0.811 . . . . 73.33 109.275 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 28.8 m-85 -97.03 120.97 38.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 75.24 110.977 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -163.07 114.8 1.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 63.31 110.373 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.29 -121.17 6.04 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 74.21 111.03 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -78.08 -16.95 57.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 0.766 . . . . 72.14 109.299 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -66.17 -9.99 37.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 62.44 110.291 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.0 mt -106.37 31.45 5.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 73.11 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 t -88.89 -22.23 23.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 30.53 109.989 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 109.15 134.67 7.12 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.498 1.124 . . . . 74.11 110.999 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.8 m -128.16 173.0 10.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 42.53 110.398 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 80.5 mtp -119.41 126.89 52.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 75.15 111.015 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -100.25 124.69 46.0 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 64.11 110.327 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.471 ' CD1' ' CB ' ' A' ' 45' ' ' ALA . 21.5 m-85 -117.48 149.26 40.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 74.25 110.989 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.446 ' HD2' HD11 ' A' ' 25' ' ' ILE . 1.3 ttmm -102.37 115.27 30.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 73.2 109.347 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.776 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.4 OUTLIER -99.02 114.01 26.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 55.22 109.311 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.692 ' N ' HD22 ' A' ' 24' ' ' LEU . 15.9 mt -113.03 122.51 67.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 62.12 109.278 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.776 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -110.64 110.5 21.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 73.33 109.331 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -104.45 100.63 10.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.433 1.083 . . . . 71.32 109.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.12 155.61 21.94 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.483 1.114 . . . . 73.31 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -69.08 -36.63 77.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 0.726 . . . . 74.21 109.291 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 30.0 p -102.02 -23.85 14.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 74.44 110.394 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.65 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.89 105.2 7.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 44.45 109.287 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -133.82 123.74 25.33 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 75.23 109.27 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 179.74 176.91 47.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 74.55 111.034 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -130.68 168.88 16.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.511 0.771 . . . . 75.21 110.264 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.779 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.9 t -175.31 178.44 1.68 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 75.44 110.378 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.467 ' N ' ' OG1' ' A' ' 35' ' ' THR . 6.6 p -146.98 156.14 42.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 51.13 110.403 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.0 t -146.58 152.24 38.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 63.41 110.413 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.2 m -111.31 133.84 53.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 72.44 108.322 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.655 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.07 142.8 28.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 72.33 109.324 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.03 -27.57 37.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 55.31 109.284 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -136.92 143.52 42.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 65.12 109.335 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.13 -20.17 38.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 64.32 109.319 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.54 -40.45 85.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 72.54 109.271 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.78 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.5 m -71.8 -43.52 65.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 63.11 110.399 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.655 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.21 -37.06 84.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.35 109.291 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.06 -51.44 70.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 70.35 110.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' CG ' ' O ' ' A' ' 44' ' ' THR . 0.1 OUTLIER -61.55 -34.23 75.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 62.03 109.311 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 44' ' ' THR . 75.0 t -67.44 -41.79 86.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 74.35 109.255 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.704 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.61 -41.13 79.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.451 1.094 . . . . 65.43 110.994 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -68.03 -34.99 77.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 74.14 109.314 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.3 tp60 -73.59 -27.69 61.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 63.14 110.275 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.779 ' CZ ' HG21 ' A' ' 35' ' ' THR . 1.1 t80 -70.05 -52.48 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 71.22 110.966 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.68 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.69 -35.78 75.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 72.34 109.307 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -65.41 -42.87 92.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 73.41 109.34 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.01 -21.5 64.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.105 . . . . 65.55 109.291 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.75 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -92.94 -18.78 22.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 70.1 109.291 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.81 72.64 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.51 1.131 . . . . 54.2 111.003 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.605 HG13 ' HG3' ' A' ' 75' ' ' GLU . 75.8 t -116.86 132.59 66.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.757 . . . . 51.22 109.266 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -144.73 143.34 30.64 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 60.53 109.268 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -177.11 -117.12 0.5 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.521 1.138 . . . . 52.43 111.008 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -93.66 112.73 24.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 72.11 110.334 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.704 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 23.2 m95 -97.43 124.78 41.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 75.03 108.035 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -136.31 133.15 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 62.02 110.366 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.725 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.9 t80 -130.87 137.51 49.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.513 1.133 . . . . 73.24 111.01 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -117.24 108.15 15.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 71.33 109.307 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.37 -19.85 66.13 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 71.2 109.304 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.42 -24.02 58.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 74.3 109.317 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 69' ' ' LYS . 40.6 p -145.53 16.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 71.25 110.446 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 68' ' ' THR . 3.1 mptt 38.9 62.21 1.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 54.2 109.264 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 5.7 m -132.41 137.27 47.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 75.04 110.387 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.725 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -119.29 141.35 49.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.121 . . . . 71.31 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.14 135.93 46.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 51.44 110.396 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.426 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -115.66 118.41 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 75.32 109.263 -179.929 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.3 m -108.82 119.57 39.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.433 1.083 . . . . 74.43 110.385 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.605 ' HG3' HG13 ' A' ' 58' ' ' VAL . 2.7 tm-20 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 71.44 110.298 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 108.316 -0.994 . . . . 73.3 108.316 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.56 ' HB3' ' CD1' ' A' ' 11' ' ' TYR . 11.8 m-85 -106.88 154.2 21.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 61.05 111.003 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.881 ' HB ' HG21 ' A' ' 19' ' ' THR . 0.3 OUTLIER -132.07 129.3 60.19 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.72 0 CA-C-O 123.657 1.694 . . . . 71.11 109.292 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.7 t0 -88.08 138.12 31.73 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 117.954 -1.022 . . . . 55.12 109.931 179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.8 p -106.51 17.88 22.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 50.33 110.431 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.1 m120 -111.17 -22.46 11.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 70.54 109.287 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.433 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 6.5 t-20 76.72 31.54 0.56 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 71.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -102.25 -28.67 12.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 72.12 109.286 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.89 36.92 5.37 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.484 1.115 . . . . 75.51 111.051 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.454 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.57 145.31 31.74 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 0.74 . . . . 64.1 109.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CD1' ' HB3' ' A' ' 2' ' ' TYR . 22.3 m-85 -104.84 114.01 27.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.34 110.987 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -159.05 115.31 2.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 71.41 110.303 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.02 -117.87 5.43 Favored Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.451 1.095 . . . . 55.35 110.986 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -78.17 -16.88 57.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.545 0.791 . . . . 71.04 109.286 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 27.2 mt-10 -72.04 -4.69 30.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 75.53 110.29 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 25.0 mt -114.13 27.72 9.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 71.35 109.329 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 11.9 t -88.77 -22.12 23.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 64.12 110.029 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 118.02 134.69 5.15 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.458 1.099 . . . . 63.45 111.006 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.881 HG21 ' HB ' ' A' ' 3' ' ' VAL . 1.4 m -135.88 169.39 17.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 74.43 110.375 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 35.4 mtt -112.82 131.35 55.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 74.31 110.977 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -104.65 124.9 50.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 73.41 110.311 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.488 ' CD1' ' N ' ' A' ' 22' ' ' TYR . 6.2 m-85 -116.03 149.71 38.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 62.41 111.006 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HD3' HD11 ' A' ' 25' ' ' ILE . 26.6 tttp -102.21 115.37 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 72.2 109.308 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.812 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.5 tm? -98.79 114.58 27.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 74.41 109.281 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.544 HD11 ' HD3' ' A' ' 23' ' ' LYS . 19.4 mt -114.07 124.35 70.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 74.42 109.316 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.812 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -112.97 111.01 21.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.134 . . . . 72.31 109.296 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.1 m-20 -104.13 100.88 10.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 75.14 109.268 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.6 149.91 19.39 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.445 1.091 . . . . 61.42 110.984 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.8 mmpt? -65.43 -36.84 85.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 0.755 . . . . 74.43 109.298 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.3 t -102.06 -23.87 14.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 1.132 . . . . 74.34 110.423 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 HD23 ' CB ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -131.02 107.51 9.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 74.11 109.285 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 pttp -133.77 123.64 25.22 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.532 1.145 . . . . 72.23 109.322 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -177.48 172.21 44.97 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 43.22 111.036 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -129.42 169.06 15.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 0.769 . . . . 74.44 110.283 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.65 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 1.8 t -176.02 179.22 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 61.05 110.414 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.478 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.6 p -146.02 156.19 43.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 71.05 110.364 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.0 t -146.35 152.1 38.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.157 . . . . 72.33 110.348 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 32.4 m -111.52 134.0 53.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.135 . . . . 74.42 108.308 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.663 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.99 140.06 25.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 62.31 109.299 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.0 m -67.91 -26.47 34.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 64.12 109.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -136.37 143.04 43.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 74.52 109.337 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.3 -19.69 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 54.11 109.251 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 -40.5 83.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 70.12 109.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 48' ' ' VAL . 1.8 m -71.41 -43.92 65.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 75.43 110.453 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.663 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -66.6 -37.03 84.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 52.24 109.269 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -59.37 -51.44 69.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 71.43 110.281 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.436 ' CG ' ' O ' ' A' ' 44' ' ' THR . 11.1 ptmm? -61.15 -40.82 95.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 64.15 109.329 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 44' ' ' THR . 60.1 t -61.53 -41.47 90.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 65.31 109.298 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.753 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 0.8 OUTLIER -68.81 -41.22 78.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 73.0 110.999 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.407 ' O ' ' ND2' ' A' ' 54' ' ' ASN . 15.0 mmtt -66.72 -35.88 81.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 74.31 109.296 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 tp60 -73.69 -27.97 61.5 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.505 1.128 . . . . 74.44 110.343 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.65 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -71.33 -52.26 19.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.128 . . . . 73.13 111.02 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.683 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -60.0 -35.16 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 75.13 109.252 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.407 ' ND2' ' O ' ' A' ' 50' ' ' LYS . 2.0 m-80 -68.9 -38.6 79.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 52.54 109.291 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -64.42 -21.67 66.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 64.52 109.273 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.752 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.88 -18.81 23.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 62.54 109.278 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.26 22.25 77.44 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 53.24 111.014 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 75' ' ' GLU . 74.4 t -110.17 132.72 57.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 74.02 109.293 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -144.63 145.14 31.62 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.503 1.127 . . . . 74.01 109.318 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.3 -117.29 0.54 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.467 1.104 . . . . 65.22 110.961 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -93.66 113.23 25.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 72.43 110.315 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.753 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 21.7 m95 -96.3 124.73 40.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 74.34 108.018 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -134.52 133.29 40.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 52.03 110.41 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.0 t80 -134.51 136.01 42.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 75.33 110.987 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.31 108.25 15.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 75.5 109.297 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.416 ' OD2' ' NZ ' ' A' ' 69' ' ' LYS . 8.8 t70 -62.29 -20.36 64.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.127 . . . . 74.14 109.286 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -58.55 -27.5 64.63 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 75.4 109.279 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.52 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.4 t -140.6 13.69 2.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 43.23 110.399 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' N ' ' O ' ' A' ' 65' ' ' ASP . 11.3 mmtt 40.0 55.15 2.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 61.42 109.266 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.52 ' HB ' HG23 ' A' ' 68' ' ' THR . 6.1 m -125.44 135.01 51.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 72.41 110.354 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.2 m-85 -116.16 140.95 48.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 74.54 111.014 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.2 130.11 40.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 73.51 110.397 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.428 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.82 118.26 56.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.491 1.119 . . . . 71.11 109.307 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -109.17 118.94 38.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 61.3 110.391 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 40.45 110.296 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 108.266 -1.013 . . . . 73.52 108.266 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.605 ' CE1' ' HA ' ' A' ' 16' ' ' LEU . 6.4 m-85 -117.06 156.09 28.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 64.24 111.039 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.556 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.3 t -131.95 137.55 54.59 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-O 123.596 1.665 . . . . 51.25 109.331 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 66.6 t0 -98.63 144.55 27.79 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 117.916 -1.04 . . . . 71.32 109.984 179.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 23.2 p -105.48 14.55 28.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 74.54 110.413 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.47 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.3 m120 -110.95 -29.05 8.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 65.42 109.309 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.47 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 79.8 30.71 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 72.14 109.28 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -97.85 -27.6 14.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 72.54 109.3 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.91 34.81 6.05 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.566 1.166 . . . . 52.54 110.983 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.82 136.04 25.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.56 0.8 . . . . 75.12 109.273 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 26.1 m-85 -97.81 116.17 29.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.33 111.01 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -157.54 115.13 3.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 70.23 110.305 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.9 -121.89 6.37 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 73.4 110.972 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -77.98 -16.74 57.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.778 . . . . 74.22 109.314 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -64.28 -11.53 32.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 73.51 110.29 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 ' HA ' ' CE1' ' A' ' 2' ' ' TYR . 5.9 mt -110.83 39.0 2.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 74.21 109.289 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.4 t -88.96 -22.2 23.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 53.22 109.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 111.23 108.45 3.05 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.482 1.114 . . . . 64.21 110.95 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 39' ' ' ALA . 1.7 m -104.44 -179.88 4.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 0.761 . . . . 73.13 110.377 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.467 ' H ' HG22 ' A' ' 19' ' ' THR . 14.6 mtp -137.73 133.17 33.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 61.32 111.003 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -93.95 140.68 29.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 71.43 110.339 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.527 ' CE2' ' HG2' ' A' ' 69' ' ' LYS . 56.5 m-85 -136.29 149.65 48.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 74.02 111.045 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -102.07 115.58 30.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 74.33 109.32 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.729 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -100.18 113.19 25.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 75.21 109.262 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.48 ' N ' HD22 ' A' ' 24' ' ' LEU . 11.3 mt -113.82 124.78 70.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 63.31 109.256 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.729 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -111.62 110.32 20.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.557 1.161 . . . . 61.14 109.293 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -104.2 100.77 10.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 72.11 109.305 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 31' ' ' LEU . . . -133.47 150.24 19.83 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.541 1.15 . . . . 51.1 111.041 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.2 mmpt? -64.26 -36.59 84.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 62.14 109.303 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.3 t -101.84 -23.74 14.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 72.23 110.396 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -130.96 107.03 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 74.04 109.263 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -133.76 123.76 25.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 74.43 109.29 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.08 177.38 48.37 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.481 1.113 . . . . 64.25 110.961 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -134.36 169.04 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.475 0.75 . . . . 63.25 110.258 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.852 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.8 t -176.33 179.66 1.19 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 70.21 110.416 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.477 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.3 p -145.25 151.32 38.19 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.461 1.101 . . . . 41.54 110.41 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.44 151.47 37.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 64.24 110.448 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -111.58 134.19 53.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 74.24 108.28 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 1.0 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -142.11 156.87 45.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 74.04 109.311 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 1.5 t -66.93 -39.55 83.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 62.41 109.336 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -144.98 151.95 39.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 65.11 109.352 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.18 -21.47 3.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 32.25 109.268 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.41 -46.21 73.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.3 109.274 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.0 m -73.11 -42.11 63.29 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.506 1.129 . . . . 51.33 110.422 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.0 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.05 -36.95 86.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 52.42 109.259 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.59 -42.37 83.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 71.24 110.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 13.2 mtpp -59.56 -45.9 90.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 73.43 109.306 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 58.3 t -64.4 -39.27 84.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 75.2 109.279 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.659 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.5 t80 -64.22 -41.07 97.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 71.11 111.021 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -71.78 -33.87 68.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 64.41 109.298 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -72.08 -31.24 65.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.428 1.08 . . . . 72.32 110.283 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.852 ' CE2' HG21 ' A' ' 35' ' ' THR . 1.0 OUTLIER -69.25 -52.4 28.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 73.11 111.003 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.658 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -59.32 -36.44 75.65 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.514 1.134 . . . . 74.42 109.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.6 m-20 -65.18 -43.01 93.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.436 1.085 . . . . 72.21 109.302 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -61.59 -21.5 64.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 60.32 109.296 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.742 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -93.07 -18.79 22.22 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 64.23 109.316 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.07 32.82 81.64 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.45 1.094 . . . . 72.43 110.986 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.488 HG13 ' CG ' ' A' ' 75' ' ' GLU . 29.4 t -119.7 132.79 68.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.538 0.787 . . . . 61.44 109.255 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -144.59 141.54 29.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 64.41 109.316 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -176.24 -117.03 0.48 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.505 1.128 . . . . 75.11 111.037 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -93.23 112.22 24.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 0.739 . . . . 73.21 110.327 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.659 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.6 m95 -96.83 124.69 40.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.151 . . . . 72.45 107.993 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.0 t -134.86 133.08 39.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 52.42 110.437 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.698 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.0 t80 -134.11 136.39 43.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 75.43 110.989 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 69' ' ' LYS . 1.1 m-20 -117.46 108.0 15.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 74.52 109.27 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -64.03 -20.3 65.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 62.21 109.326 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.42 -33.03 70.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 70.51 109.344 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 69' ' ' LYS . 30.9 p -132.36 12.9 4.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 62.11 110.401 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.527 ' HG2' ' CE2' ' A' ' 22' ' ' TYR . 1.7 mptp? 40.01 62.24 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 63.15 109.308 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 22.9 m -135.25 137.68 42.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.44 1.087 . . . . 73.52 110.411 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.698 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.57 141.01 49.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 75.42 110.957 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.2 m -132.26 130.07 40.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 63.33 110.399 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -109.87 118.42 56.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 73.13 109.309 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -107.97 118.93 38.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 65.05 110.395 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' CG ' HG13 ' A' ' 58' ' ' VAL . 3.9 tm-20 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 61.2 110.315 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 108.292 -1.003 . . . . 71.43 108.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.578 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 40.6 m-85 -61.82 162.66 8.51 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 73.2 111.041 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.468 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.1 t -132.08 140.39 48.02 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.729 0 CA-C-O 123.656 1.693 . . . . 64.5 109.294 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.452 ' OD1' ' N ' ' A' ' 5' ' ' THR . 58.6 t0 -99.68 145.12 27.97 Favored 'General case' 0 N--CA 1.49 1.571 0 CA-C-O 117.938 -1.03 . . . . 73.12 109.965 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.452 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 3.2 p -105.42 13.58 30.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 74.24 110.38 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.4 m120 -110.5 -24.11 10.76 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.523 1.14 . . . . 64.3 109.325 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.402 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 0.1 OUTLIER 75.58 30.48 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 55.22 109.317 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.502 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.08 -23.75 15.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.435 1.084 . . . . 75.02 109.318 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.6 35.51 7.31 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 31.35 111.05 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.502 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.71 140.77 28.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.537 0.787 . . . . 62.41 109.285 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.578 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 25.0 m-85 -100.69 114.78 28.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 70.11 111.051 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -158.81 114.49 2.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 63.43 110.314 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 108.98 -120.62 5.92 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.553 1.158 . . . . 44.21 110.999 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -78.23 -16.74 57.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 64.21 109.312 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -67.68 -8.62 36.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 71.35 110.274 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.4 mt -109.73 28.52 8.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 73.24 109.296 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.7 t -88.97 -22.09 23.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 74.44 110.013 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 112.55 135.19 6.37 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.468 1.105 . . . . 64.42 111.007 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 HG21 ' CG2' ' A' ' 3' ' ' VAL . 3.0 m -124.56 168.02 13.69 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 0.77 . . . . 72.24 110.396 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 44.0 mtt -117.41 126.72 53.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 54.51 111.012 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -98.51 124.87 43.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.34 110.315 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -118.41 148.95 42.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.1 . . . . 72.51 111.021 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -102.83 114.97 29.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 72.2 109.335 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.828 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -96.5 117.87 31.82 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.463 1.102 . . . . 62.42 109.312 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.719 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.0 mt -116.48 125.38 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 44.23 109.258 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.828 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -114.43 111.29 21.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 73.2 109.282 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -104.32 100.69 10.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 75.24 109.328 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.68 148.0 19.24 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.513 1.133 . . . . 73.34 111.007 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -63.25 -36.95 85.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 0.803 . . . . 73.5 109.302 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 11.6 p -102.1 -24.11 13.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.446 1.092 . . . . 71.35 110.393 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -131.07 104.48 7.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.469 1.106 . . . . 65.11 109.34 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.85 123.8 25.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 54.23 109.285 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -176.49 177.24 47.98 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.535 1.147 . . . . 62.54 111.013 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -132.76 168.98 17.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 0.763 . . . . 74.21 110.291 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.835 HG21 ' CE2' ' A' ' 52' ' ' TYR . 0.8 OUTLIER -177.76 176.31 1.24 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 1.108 . . . . 74.22 110.405 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.482 ' N ' ' OG1' ' A' ' 35' ' ' THR . 12.6 p -145.12 155.25 43.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.429 1.081 . . . . 63.2 110.382 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.8 t -146.56 151.69 37.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 65.11 110.411 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 64.6 m -111.78 134.08 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 74.31 108.312 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.596 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -146.05 145.2 30.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.13 . . . . 74.5 109.288 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.416 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.6 m -67.94 -28.2 40.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.431 1.082 . . . . 63.45 109.309 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -138.73 143.61 39.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 73.55 109.333 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.23 -20.25 40.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 73.4 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.31 -39.32 85.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 74.53 109.298 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.622 ' O ' HG23 ' A' ' 48' ' ' VAL . 17.4 m -72.92 -43.54 62.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 70.34 110.389 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.67 -37.43 86.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 44.1 109.336 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -58.32 -47.69 82.89 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 74.21 110.29 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 48' ' ' VAL . 1.2 ptmt -60.08 -31.54 70.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 64.42 109.286 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 44' ' ' THR . 98.8 t -74.46 -40.03 48.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.127 . . . . 75.25 109.327 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.622 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.38 -41.04 89.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 73.22 110.996 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -69.82 -33.68 72.65 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 62.01 109.283 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.466 ' NE2' ' C ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -71.0 -45.76 63.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 75.34 110.317 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.835 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.17 -51.92 67.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 72.24 110.961 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.647 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.65 -34.67 71.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 51.21 109.284 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 -69.07 -41.71 77.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 60.42 109.311 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -60.89 -21.56 63.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 72.1 109.306 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.62 -18.83 23.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 75.43 109.257 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.91 28.53 73.83 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.493 1.12 . . . . 65.55 111.033 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.582 HG13 ' CG ' ' A' ' 75' ' ' GLU . 70.2 t -116.75 132.63 65.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.415 0.715 . . . . 63.23 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -144.6 132.83 21.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 71.55 109.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -164.52 -115.62 0.34 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 54.03 111.019 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.4 tp10 -95.35 113.43 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.766 . . . . 70.41 110.29 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.647 ' HH2' ' HB3' ' A' ' 53' ' ' ALA . 20.5 m95 -96.8 124.83 40.89 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.012 -1.107 . . . . 74.35 108.012 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.0 t -135.04 133.19 39.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 71.33 110.369 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.697 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 2.7 t80 -132.21 137.42 47.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.24 110.947 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.5 OUTLIER -117.31 108.2 15.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.432 1.083 . . . . 73.41 109.274 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.33 -20.25 66.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 72.12 109.312 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.44 -25.98 66.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 72.34 109.275 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.497 HG23 ' HB ' ' A' ' 70' ' ' THR . 6.7 t -139.65 13.14 2.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.15 . . . . 75.45 110.402 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 39.79 62.17 1.28 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 70.22 109.313 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.497 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.0 m -134.99 137.7 43.28 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 70.12 110.401 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.697 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.3 m-85 -118.43 141.34 48.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 73.33 110.983 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.1 m -132.28 134.73 45.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 75.45 110.416 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.77 118.45 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.41 109.302 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -109.26 119.65 40.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.122 . . . . 74.31 110.374 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.582 ' CG ' HG13 ' A' ' 58' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 72.24 110.308 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.291 -1.003 . . . . 60.31 108.291 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.576 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 50.3 m-85 -110.15 160.24 16.66 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 75.34 110.981 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.482 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.0 t -132.23 139.26 50.54 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.714 0 CA-C-O 123.595 1.664 . . . . 72.52 109.306 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 5' ' ' THR . 64.0 t0 -98.05 144.42 27.58 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-O 117.864 -1.065 . . . . 62.02 109.99 179.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 51.3 p -105.4 15.04 27.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 50.11 110.404 -179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -111.92 -16.6 13.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 74.41 109.29 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 70.15 25.89 4.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 74.22 109.288 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.489 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -94.72 -26.91 16.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 72.22 109.323 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.81 36.57 6.37 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.113 . . . . 72.32 110.983 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.489 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.66 144.03 31.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 44.53 109.336 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.757 ' C ' HD21 ' A' ' 16' ' ' LEU . 24.1 m-85 -102.99 118.01 35.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 75.01 110.99 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.579 ' N ' HD21 ' A' ' 16' ' ' LEU . 0.3 OUTLIER -165.15 113.55 1.03 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 71.23 110.252 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 109.95 -118.98 5.26 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.46 1.1 . . . . 71.22 110.971 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -78.12 -16.62 57.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 75.11 109.318 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -69.77 -6.59 33.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 65.23 110.342 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.757 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.2 mt -103.54 29.97 5.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 74.45 109.304 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 26.8 t -88.94 -22.11 23.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 72.33 109.999 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 104.08 134.33 8.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.482 1.114 . . . . 60.42 111.008 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.482 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.9 m -126.25 171.19 11.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.76 . . . . 75.55 110.333 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.402 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 21.0 mtt -118.05 126.96 53.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 51.51 110.994 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -98.87 124.79 44.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 73.23 110.305 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.402 ' CE1' ' O ' ' A' ' 20' ' ' MET . 19.5 m-85 -116.1 149.21 39.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 75.32 110.981 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' HB3' HG23 ' A' ' 70' ' ' THR . 3.2 ttmt -102.53 115.0 29.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 61.41 109.296 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.775 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.6 tm? -98.54 113.88 26.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 62.15 109.312 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.429 ' N ' HD22 ' A' ' 24' ' ' LEU . 16.0 mt -114.1 125.29 71.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 75.41 109.338 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.775 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.4 OUTLIER -112.96 110.85 21.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 53.24 109.322 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -104.09 100.69 10.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 70.31 109.293 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -135.15 153.43 21.17 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.504 1.128 . . . . 53.54 110.976 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.1 mmpt? -67.7 -36.71 81.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 0.741 . . . . 75.22 109.278 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.9 p -102.01 -23.74 14.07 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 72.33 110.385 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 31' ' ' LEU . 0.0 OUTLIER -130.84 104.38 7.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 63.21 109.346 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 pttm -133.76 123.75 25.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 73.12 109.323 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -178.27 178.79 48.64 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.499 1.124 . . . . 51.22 111.011 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -133.67 168.94 17.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 0.75 . . . . 73.42 110.315 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.918 HG21 ' CE2' ' A' ' 52' ' ' TYR . 1.2 t -177.15 177.25 1.26 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 70.3 110.437 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.485 ' N ' ' OG1' ' A' ' 35' ' ' THR . 10.7 p -146.43 155.68 42.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 71.22 110.371 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 14.3 t -146.55 152.34 38.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 73.12 110.4 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 19.2 m -111.22 134.05 53.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 64.13 108.285 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.598 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.26 141.99 26.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.456 1.097 . . . . 70.43 109.32 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' H ' HG22 ' A' ' 40' ' ' VAL . 3.4 m -68.16 -26.14 33.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 71.31 109.34 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -139.17 143.75 38.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.447 1.092 . . . . 73.35 109.295 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.34 -20.33 42.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.432 1.082 . . . . 53.02 109.304 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.25 -39.06 86.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 62.13 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.635 ' O ' HG23 ' A' ' 48' ' ' VAL . 3.2 m -73.05 -43.38 62.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 75.53 110.372 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.598 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.61 -37.43 86.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 72.04 109.302 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -58.15 -45.57 87.19 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 72.24 110.233 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -59.75 -47.94 83.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.483 1.114 . . . . 74.42 109.308 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.635 HG23 ' O ' ' A' ' 44' ' ' THR . 22.8 t -60.33 -38.89 79.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 72.12 109.295 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.727 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.6 t80 -66.54 -41.14 89.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 75.13 110.997 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -69.61 -33.85 73.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.146 . . . . 42.42 109.243 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.465 ' NE2' ' C ' ' A' ' 51' ' ' GLN . 0.4 OUTLIER -70.99 -45.56 63.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 63.44 110.3 -179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.918 ' CE2' HG21 ' A' ' 35' ' ' THR . 0.5 OUTLIER -58.02 -51.95 67.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.106 . . . . 72.34 110.977 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB3' ' HH2' ' A' ' 62' ' ' TRP . . . -58.8 -34.73 71.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 51.03 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -68.5 -42.24 78.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 63.22 109.278 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -60.95 -21.62 63.64 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 44.24 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.755 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.36 -18.88 23.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 65.25 109.28 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 65.69 23.07 70.44 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.467 1.104 . . . . 71.2 110.979 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.886 HG13 ' CD ' ' A' ' 75' ' ' GLU . 74.6 t -111.0 132.68 58.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.781 . . . . 75.45 109.273 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.4 m-20 -144.68 129.06 17.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 74.21 109.289 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.65 -117.12 0.44 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.543 1.152 . . . . 75.43 110.953 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -94.24 112.95 24.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 0.761 . . . . 65.52 110.272 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.727 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 17.7 m95 -96.0 124.75 40.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.145 . . . . 72.4 107.999 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -134.59 133.3 40.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 74.11 110.413 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.659 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 1.6 t80 -132.71 137.12 46.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 71.53 110.993 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.4 OUTLIER -117.36 108.25 15.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 62.43 109.299 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -63.2 -20.43 65.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 65.14 109.307 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.08 -27.0 66.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 55.31 109.268 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 69' ' ' LYS . 72.0 p -139.02 12.56 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.127 . . . . 65.53 110.392 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 65' ' ' ASP . 3.0 mmmm 39.76 57.41 2.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 63.03 109.281 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.44 HG23 ' HB3' ' A' ' 23' ' ' LYS . 4.9 m -129.81 137.22 50.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 75.55 110.443 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.659 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.1 m-85 -116.83 140.98 48.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 72.31 110.98 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 m -131.48 131.82 43.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 54.31 110.397 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.444 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.4 OUTLIER -110.22 118.49 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 40.25 109.306 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.4 m -108.82 119.86 40.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 64.14 110.388 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.886 ' CD ' HG13 ' A' ' 58' ' ' VAL . 12.2 tt0 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 63.24 110.29 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' THR . 1.4 p . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 108.272 -1.01 . . . . 72.05 108.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 64.6 m-85 -103.72 148.5 25.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 64.43 111.027 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -132.08 131.81 61.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.71 0 CA-C-O 123.612 1.672 . . . . 75.43 109.254 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.422 ' HA ' ' CG ' ' A' ' 15' ' ' GLU . 67.5 t0 -89.32 137.61 32.17 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 117.885 -1.055 . . . . 71.02 109.977 179.74 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -105.95 17.87 22.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 74.54 110.391 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -111.76 -18.94 12.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 62.24 109.318 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 73.6 32.77 1.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 71.23 109.279 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' OD1' ' CB ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -104.44 -27.1 12.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 72.22 109.313 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.82 39.12 5.91 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.544 1.153 . . . . 70.43 111.036 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.499 ' CB ' ' OD1' ' A' ' 8' ' ' ASP . . . -144.68 142.57 30.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 60.23 109.292 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 2' ' ' TYR . 24.1 m-85 -101.44 113.93 27.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 75.24 110.98 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -161.29 114.81 1.96 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 62.32 110.271 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 107.56 -118.76 5.6 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.507 1.13 . . . . 72.33 111.007 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -78.07 -16.85 57.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 0.765 . . . . 64.21 109.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.422 ' CG ' ' HA ' ' A' ' 4' ' ' ASP . 22.2 mt-10 -72.56 -4.44 30.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.526 1.141 . . . . 73.13 110.3 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 2' ' ' TYR . 29.4 mt -113.6 26.19 10.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 55.31 109.322 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -88.9 -22.16 23.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.115 . . . . 71.4 109.972 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.58 134.67 6.75 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.542 1.151 . . . . 64.1 110.964 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.475 HG22 ' C ' ' A' ' 39' ' ' ALA . 3.6 m -131.92 171.27 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 0.775 . . . . 73.33 110.373 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.504 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 15.7 mtt -116.11 126.72 54.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 74.3 111.04 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -92.85 143.41 26.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 75.43 110.268 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.504 ' CE1' ' O ' ' A' ' 20' ' ' MET . 48.5 m-85 -136.89 149.19 47.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 74.24 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.564 ' HD2' HD11 ' A' ' 25' ' ' ILE . 20.7 ttpt -102.46 115.36 30.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 73.21 109.273 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.804 ' CD1' HD11 ' A' ' 26' ' ' LEU . 0.7 OUTLIER -98.71 113.04 24.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 73.05 109.284 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.6 ' N ' HD22 ' A' ' 24' ' ' LEU . 18.1 mt -111.92 122.57 66.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 73.45 109.253 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.804 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.8 OUTLIER -110.95 110.53 21.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 73.11 109.34 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -103.87 100.74 10.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 72.43 109.306 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.21 155.7 21.18 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.524 1.14 . . . . 73.41 111.026 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 5.4 mmpt? -70.87 -36.81 72.97 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 74.22 109.311 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.15 -23.8 14.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.148 . . . . 72.2 110.392 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 ' CD1' ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.97 108.41 9.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 70.13 109.315 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 pttp -134.0 123.75 25.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.448 1.092 . . . . 71.34 109.315 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.75 -179.6 46.34 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.515 1.135 . . . . 74.2 110.986 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -136.86 169.0 18.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 0.769 . . . . 54.43 110.3 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.622 HG21 ' CZ ' ' A' ' 52' ' ' TYR . 2.2 t -176.19 -179.53 1.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 65.33 110.4 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.484 ' N ' ' OG1' ' A' ' 35' ' ' THR . 7.4 p -145.72 154.61 42.26 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 65.42 110.404 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 t -146.69 152.13 38.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 64.44 110.383 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -111.01 136.38 50.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 70.31 108.339 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.909 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -147.38 144.8 28.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 74.13 109.254 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG22 ' H ' ' A' ' 40' ' ' VAL . 3.4 m -68.17 -26.9 35.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 72.53 109.331 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -142.64 143.68 32.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 73.54 109.289 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.32 -24.2 53.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 74.25 109.307 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.24 -40.93 86.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.509 1.13 . . . . 75.14 109.256 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 m -72.41 -43.25 64.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 74.41 110.409 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.909 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -65.54 -36.59 84.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.571 1.17 . . . . 45.45 109.311 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' O ' ' CG ' ' A' ' 50' ' ' LYS . 16.6 tt0 -57.5 -36.9 72.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 70.43 110.325 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' NZ ' ' CB ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER -67.06 -39.77 86.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 61.33 109.293 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 86.6 t -67.64 -40.56 84.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 73.15 109.263 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.716 ' CZ ' ' CE3' ' A' ' 62' ' ' TRP . 1.0 OUTLIER -68.09 -41.12 82.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 74.32 111.015 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' CG ' ' O ' ' A' ' 46' ' ' GLU . 14.5 mmtt -69.64 -35.19 75.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.31 109.316 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -73.58 -25.59 60.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 65.43 110.311 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.622 ' CZ ' HG21 ' A' ' 35' ' ' THR . 0.4 OUTLIER -70.84 -53.0 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.107 . . . . 54.33 110.939 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.696 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -60.11 -34.75 73.93 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 74.0 109.271 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -67.54 -38.74 84.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 71.22 109.32 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -57.66 -34.36 69.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 75.34 109.318 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.503 ' OD1' ' CD1' ' A' ' 31' ' ' LEU . 23.3 m-80 -88.45 -18.8 27.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 71.41 109.315 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 74.78 13.54 82.21 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 74.13 110.987 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 57.9 t -93.75 132.38 38.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.556 0.798 . . . . 72.11 109.29 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.99 146.38 31.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 53.12 109.294 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -178.58 -120.32 0.65 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 72.34 111.014 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -92.05 112.86 24.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 0.767 . . . . 61.01 110.301 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.716 ' CE3' ' CZ ' ' A' ' 49' ' ' PHE . 22.9 m95 -96.9 124.73 40.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.936 -1.135 . . . . 74.44 107.936 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.1 t -135.38 133.12 38.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 71.24 110.397 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.793 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 3.7 t80 -134.28 136.86 43.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 74.14 111.002 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.458 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.7 OUTLIER -117.32 108.03 15.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 54.31 109.31 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -62.82 -20.28 64.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 74.14 109.29 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.98 -26.51 68.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 73.34 109.28 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 70' ' ' THR . 2.5 t -136.95 11.45 3.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 73.23 110.423 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.7 OUTLIER 39.82 53.93 2.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.162 . . . . 73.5 109.287 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.533 ' HB ' HG23 ' A' ' 68' ' ' THR . 13.7 m -127.14 137.86 53.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 65.03 110.4 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.793 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.59 141.11 48.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.22 110.975 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -132.3 131.78 42.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 73.44 110.416 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.433 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -112.13 118.12 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 74.42 109.329 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.2 m -108.34 118.96 38.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 75.24 110.418 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 73.15 110.263 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 108.291 -1.003 . . . . 75.55 108.291 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 16' ' ' LEU . 6.2 m-85 -95.86 168.95 10.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 72.23 111.006 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 1.036 ' CG2' HG21 ' A' ' 19' ' ' THR . 2.2 t -132.33 129.59 59.66 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.723 0 CA-C-O 123.639 1.685 . . . . 62.34 109.311 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 5' ' ' THR . 60.9 t0 -96.05 145.07 25.77 Favored 'General case' 0 N--CA 1.49 1.57 0 CA-C-O 117.939 -1.029 . . . . 65.41 109.928 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.465 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 30.9 p -102.43 13.15 35.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 73.12 110.41 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 7' ' ' ASN . 2.2 m120 -111.79 -31.35 6.98 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 54.15 109.309 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.465 ' CB ' ' O ' ' A' ' 6' ' ' ASN . 3.6 t-20 79.13 31.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 54.02 109.267 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.603 ' OD1' ' HB3' ' A' ' 10' ' ' ALA . 0.7 OUTLIER -99.11 -12.45 20.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 51.3 109.295 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.21 35.91 22.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.113 . . . . 45.13 111.011 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.603 ' HB3' ' OD1' ' A' ' 8' ' ' ASP . . . -144.94 128.94 17.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 0.76 . . . . 74.3 109.283 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.575 ' CD2' ' HB2' ' A' ' 2' ' ' TYR . 29.3 m-85 -95.82 114.02 25.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 71.22 110.986 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' HA ' HD11 ' A' ' 16' ' ' LEU . 1.4 pm0 -153.54 119.34 5.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 74.25 110.299 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.605 ' O ' HD12 ' A' ' 16' ' ' LEU . . . 105.93 -125.81 8.34 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.452 1.095 . . . . 52.45 111.004 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.73 -14.66 59.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.423 0.72 . . . . 75.44 109.284 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -58.39 -15.17 9.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 72.11 110.287 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.605 HD12 ' O ' ' A' ' 13' ' ' GLY . 0.4 OUTLIER -105.56 43.1 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 72.32 109.245 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 28.7 t -88.85 -22.13 23.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 75.04 110.016 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.56 127.5 4.04 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.433 1.083 . . . . 62.24 111.01 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 1.036 HG21 ' CG2' ' A' ' 3' ' ' VAL . 1.4 m -138.29 164.98 27.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.525 0.779 . . . . 71.11 110.419 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.456 ' O ' ' CE1' ' A' ' 22' ' ' TYR . 24.8 mtt -110.68 127.34 55.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.124 . . . . 70.45 111.02 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -94.2 143.59 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 72.23 110.284 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.456 ' CE1' ' O ' ' A' ' 20' ' ' MET . 45.6 m-85 -137.46 149.26 46.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 72.14 110.98 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 36' ' ' THR . 17.0 tptt -102.75 115.21 30.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 75.01 109.31 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD11 ' A' ' 26' ' ' LEU . 1.2 tm? -97.24 113.63 25.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.112 . . . . 61.22 109.269 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.502 ' N ' HD22 ' A' ' 24' ' ' LEU . 10.3 mt -112.66 124.99 69.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.34 109.284 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.808 HD11 ' CD1' ' A' ' 24' ' ' LEU . 0.5 OUTLIER -114.57 110.85 20.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 71.52 109.34 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-20 -104.04 100.51 10.28 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 1.129 . . . . 54.44 109.292 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -133.47 153.13 20.68 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.475 1.109 . . . . 54.51 111.019 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.451 ' CE ' ' N ' ' A' ' 29' ' ' LYS . 4.6 mmpt? -69.91 -36.52 75.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 0.782 . . . . 72.35 109.318 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 12.1 p -102.02 -23.73 14.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 73.13 110.414 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.639 HD12 ' OD1' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -130.86 104.9 7.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 72.45 109.282 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.12 123.64 24.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 73.25 109.319 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -173.61 -176.72 42.29 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.516 1.135 . . . . 71.31 110.994 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.419 ' O ' ' HB ' ' A' ' 35' ' ' THR . 32.9 mt-10 -135.69 168.82 18.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 0.748 . . . . 51.12 110.327 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.77 HG21 ' CE1' ' A' ' 52' ' ' TYR . 1.2 t 179.42 176.39 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 63.24 110.411 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.472 ' N ' ' OG1' ' A' ' 35' ' ' THR . 52.0 p -146.76 153.51 40.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 73.14 110.361 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.8 t -146.43 148.73 32.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.103 . . . . 55.54 110.413 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 80.5 m -112.19 135.67 52.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 70.41 108.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.951 ' HB3' ' HB2' ' A' ' 45' ' ' ALA . . . -138.48 152.52 48.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 72.4 109.329 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -29.23 43.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 74.23 109.259 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -142.74 143.39 32.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 74.53 109.332 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -56.14 -23.15 32.88 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 33.31 109.311 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.28 -46.22 74.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.35 109.312 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 m -69.24 -43.41 74.07 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.103 . . . . 75.21 110.439 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.951 ' HB2' ' HB3' ' A' ' 39' ' ' ALA . . . -59.57 -36.73 76.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 55.14 109.27 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.484 ' CG ' ' HE3' ' A' ' 50' ' ' LYS . 7.3 tt0 -57.51 -47.43 81.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.163 . . . . 72.21 110.278 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 47' ' ' LYS . 15.3 mmmt -57.68 -45.77 85.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 74.32 109.284 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 59.2 t -60.11 -41.63 87.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 72.12 109.306 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.675 ' CD1' HD23 ' A' ' 24' ' ' LEU . 1.1 t80 -64.24 -41.26 97.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 74.43 111.023 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HE3' ' CG ' ' A' ' 46' ' ' GLU . 21.6 mttt -70.47 -33.84 71.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 62.33 109.272 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.8 tp60 -73.28 -29.67 62.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 74.33 110.33 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.77 ' CE1' HG21 ' A' ' 35' ' ' THR . 0.7 OUTLIER -71.25 -52.37 19.35 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 1.111 . . . . 61.41 110.989 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.776 ' HB3' ' CH2' ' A' ' 62' ' ' TRP . . . -59.62 -35.6 74.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.127 . . . . 73.41 109.306 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -68.06 -41.08 82.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 72.12 109.314 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 32.9 t0 -61.59 -21.51 64.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 62.42 109.316 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.759 HD22 ' N ' ' A' ' 56' ' ' ASN . 0.8 OUTLIER -91.29 -18.95 23.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 62.31 109.26 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.37 31.47 65.88 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.547 1.154 . . . . 61.54 110.995 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.553 HG13 ' HG3' ' A' ' 75' ' ' GLU . 64.1 t -121.04 132.62 70.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.519 0.776 . . . . 72.02 109.303 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.74 145.27 31.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 73.54 109.255 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -179.89 -116.83 0.53 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 74.24 110.994 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -93.27 112.21 24.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 74.33 110.272 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.776 ' CH2' ' HB3' ' A' ' 53' ' ' ALA . 23.2 m95 -96.83 124.77 40.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 73.43 107.973 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 t -135.45 133.25 38.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 52.34 110.397 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.742 ' CD1' ' CZ ' ' A' ' 71' ' ' PHE . 4.3 t80 -134.19 136.95 44.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 63.51 110.977 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.8 OUTLIER -117.34 108.13 15.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 73.2 109.276 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -63.38 -20.49 65.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.556 1.16 . . . . 73.22 109.289 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.34 -30.98 69.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 63.21 109.311 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -133.22 12.0 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 64.24 110.389 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 65' ' ' ASP . 0.0 OUTLIER 40.11 58.0 2.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 73.42 109.267 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 64' ' ' TYR . 18.6 m -131.13 137.53 49.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 61.25 110.441 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.742 ' CZ ' ' CD1' ' A' ' 64' ' ' TYR . 3.0 m-85 -118.44 141.21 48.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 65.34 110.972 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.461 HG23 ' CG2' ' A' ' 25' ' ' ILE . 2.3 m -132.38 134.09 44.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 72.31 110.391 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.422 ' O ' ' CG1' ' A' ' 73' ' ' VAL . 0.5 OUTLIER -113.23 118.47 58.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 63.5 109.317 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 2.5 m -108.03 118.95 38.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 64.3 110.411 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HG3' HG13 ' A' ' 58' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 73.22 110.355 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ' LA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_