data_3ifb_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 3ifb _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' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 130' ' ' LYS . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 3 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 6' ' ' TRP . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 1.9 mm-40 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 p30 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.223 -0.334 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' GLY . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.531 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.56 ' CZ3' ' N ' ' A' ' 91' ' ' GLY . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 1.5 m-80 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.515 ' NH2' ' OG ' ' A' ' 11' ' ' SER . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLY 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 34.1 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 p30 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.451 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 1.12 HG23 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.401 ' CD1' HD12 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CZ ' ' CD1' ' A' ' 119' ' ' TYR . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 47' ' ' PHE 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE2' HG13 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.418 ' CZ3' ' N ' ' A' ' 91' ' ' GLY . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 88' ' ' LYS 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 1.12 ' OXT' HG23 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.612 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CE2' ' NE2' ' A' ' 42' ' ' GLN 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 106' ' ' ARG . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' CG ' ' OXT' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 36.3 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.511 ' CH2' ' HG3' ' A' ' 106' ' ' ARG . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' CD2' ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.425 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.296 1.5 m-80 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.511 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HE3' ' OXT' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.501 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.501 ' CD2' ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' ' CG2' ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.409 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.464 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.465 ' N ' HD11 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.915 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.472 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE1' ' HD2' ' A' ' 126' ' ' ARG . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 39.9 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE1' ' CB ' ' A' ' 47' ' ' PHE 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.426 ' CE3' HD21 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.552 ' NH2' ' OG ' ' A' ' 11' ' ' SER . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HB3' ' CE3' ' A' ' 6' ' ' TRP 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.915 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 44.06 49.18 7.46 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 130' ' ' LYS . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.413 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 6' ' ' TRP . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -67.62 167.53 12.9 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.621 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 1.9 mm-40 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 p30 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -96.01 -92.03 0.22 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.484 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.43 ' C ' ' O ' ' A' ' 22' ' ' GLY . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.503 HD13 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.531 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.56 ' CZ3' ' N ' ' A' ' 91' ' ' GLY . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.53 HD21 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 1.5 m-80 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.484 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.453 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.515 ' NH2' ' OG ' ' A' ' 11' ' ' SER . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 1.224 ' N ' ' OE1' ' A' ' 42' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -143.89 51.09 1.33 Allowed 'General case' 0 C--N 1.354 0.773 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.451 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 22' ' ' GLY 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 1.224 ' OE1' ' N ' ' A' ' 1' ' ' ALA . 34.1 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 p30 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.451 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.553 ' HG3' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 58.3 171.07 0.06 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.943 0.777 . . . . 0.0 111.988 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 1.12 HG23 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.401 ' CD1' HD12 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.474 ' CZ ' ' CD1' ' A' ' 119' ' ' TYR . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 47' ' ' PHE 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG13 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.421 ' CE2' HG13 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.418 ' CZ3' ' N ' ' A' ' 91' ' ' GLY . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 88' ' ' LYS 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 HD11 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.401 HD12 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.474 ' CD1' ' CZ ' ' A' ' 17' ' ' PHE . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 1.12 ' OXT' HG23 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 117.822 -1.085 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 50.34 36.37 12.81 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 110.612 -175.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' CE2' ' NE2' ' A' ' 42' ' ' GLN 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.466 ' CH2' ' HG3' ' A' ' 106' ' ' ARG . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.466 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' CG ' ' OXT' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -79.96 74.96 6.7 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.479 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.479 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 36.3 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.63 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.511 ' CH2' ' HG3' ' A' ' 106' ' ' ARG . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' CD2' ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.425 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.296 1.5 m-80 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.511 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.42 ' HE3' ' OXT' ' A' ' 131' ' ' ASP . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -74.01 150.96 40.38 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.173 0.897 . . . . 0.0 109.969 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' C ' ' HD3' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.467 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.467 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.464 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.501 ' CE3' ' CD2' ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.501 ' CD2' ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.409 ' CD2' ' CG2' ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.409 ' CG2' ' CD2' ' A' ' 93' ' ' PHE . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -148.08 -54.05 0.2 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.464 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.464 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.465 ' N ' HD11 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 117.513 -1.232 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 49.65 46.4 23.76 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.915 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.472 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.423 ' CE1' ' HD2' ' A' ' 126' ' ' ARG . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.425 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 39.9 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.429 ' CE1' ' CB ' ' A' ' 47' ' ' PHE 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.426 ' CE3' HD21 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.426 HD21 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.552 ' NH2' ' OG ' ' A' ' 11' ' ' SER . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.437 ' HB3' ' CE3' ' A' ' 6' ' ' TRP 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.915 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 24' ' ' ASN 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 23' ' ' VAL 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 38' ' ' LEU . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.43 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 103' ' ' ASN . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 5.7 m120 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 116' ' ' THR . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.424 HG23 ' CG1' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 53' ' ' SER . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 36' ' ' LEU . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.522 ' HB2' HD23 ' A' ' 36' ' ' LEU . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 64' ' ' LEU 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.223 -0.334 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.827 HG13 ' HB3' ' A' ' 27' ' ' LYS . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.827 ' HB3' HG13 ' A' ' 23' ' ' VAL 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.526 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 70' ' ' TYR . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.665 ' CE3' HD23 ' A' ' 89' ' ' LEU . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.665 HD23 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 90' ' ' ILE . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 2.6 m120 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 103' ' ' ASN . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.543 ' HB2' HG13 ' A' ' 118' ' ' VAL . 10.9 m120 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 117' ' ' TYR . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 112' ' ' GLU . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 105' ' ' VAL 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 103' ' ' ASN 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' GLU . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OXT' ' OD1' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 119' ' ' TYR . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.412 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 24' ' ' ASN 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 39' ' ' THR 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 38' ' ' LEU . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 30' ' ' LEU . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 89' ' ' LEU 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 118' ' ' VAL . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CG ' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 102' ' ' LEU . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.419 ' O ' HD12 ' A' ' 102' ' ' LEU . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 1.028 HG22 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.445 ' CD1' HD13 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 124' ' ' ALA . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CE2' HG11 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 78' ' ' LEU 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.527 ' CE3' ' HB3' ' A' ' 89' ' ' LEU . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 89' ' ' LEU 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 84' ' ' LEU 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 78' ' ' LEU . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 112' ' ' GLU . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' ILE . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 105' ' ' VAL . 11.1 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.652 ' CD1' HD13 ' A' ' 102' ' ' LEU . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 1.028 ' OXT' HG22 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.638 ' CH2' HD11 ' A' ' 108' ' ' ILE . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 119' ' ' TYR . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.555 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' ASN 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 38' ' ' LEU . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 89' ' ' LEU 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.606 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 89' ' ' LEU 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.606 HD23 ' CE3' ' A' ' 82' ' ' TRP 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.529 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.638 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HD13 ' A' ' 108' ' ' ILE . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.443 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' OXT' ' CG ' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HB3' HE21 ' A' ' 42' ' ' GLN . 59.4 t80 . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.452 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 57.4 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 60' ' ' VAL . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 58' ' ' ILE . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.962 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.746 HD13 ' CD2' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 84' ' ' LEU . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.962 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.445 ' ND2' ' CZ ' ' A' ' 119' ' ' TYR 0.296 2.4 m120 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 128' ' ' PHE 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CH2' HD11 ' A' ' 108' ' ' ILE . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 21' ' ' MET . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' A' ' 52' ' ' SER . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 49' ' ' VAL 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.459 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 38' ' ' LEU . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.896 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CD2' HG21 ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 119' ' ' TYR 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CA ' ' HA ' ' A' ' 94' ' ' LYS . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 103' ' ' ASN . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 102' ' ' LEU . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.412 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.651 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' HD13 ' A' ' 108' ' ' ILE . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 115' ' ' GLN . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 113' ' ' LEU . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 105' ' ' VAL . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OXT' ' OD1' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 40' ' ' ILE 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HD13 ' A' ' 40' ' ' ILE . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 89' ' ' LEU . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 82' ' ' TRP 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 103' ' ' ASN . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.666 ' N ' HD23 ' A' ' 102' ' ' LEU . 8.8 m120 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 114' ' ' VAL 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 108' ' ' ILE 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 107' ' ' GLU . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.92 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 27' ' ' LYS 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 40' ' ' ILE 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 38' ' ' LEU . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.498 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 62.0 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 89' ' ' LEU 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 47' ' ' PHE 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.514 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 119' ' ' TYR . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 108' ' ' ILE 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.577 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.92 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 44.06 49.18 7.46 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 24' ' ' ASN 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 23' ' ' VAL 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 38' ' ' LEU . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.43 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 103' ' ' ASN . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 5.7 m120 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 116' ' ' THR . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.424 HG23 ' CG1' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -67.62 167.53 12.9 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.621 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 53' ' ' SER . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.2 mm100 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 36' ' ' LEU . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.522 ' HB2' HD23 ' A' ' 36' ' ' LEU . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 64' ' ' LEU 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -96.01 -92.03 0.22 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.827 HG13 ' HB3' ' A' ' 27' ' ' LYS . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.827 ' HB3' HG13 ' A' ' 23' ' ' VAL 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.526 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 70' ' ' TYR . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.665 ' CE3' HD23 ' A' ' 89' ' ' LEU . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.665 HD23 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 90' ' ' ILE . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 2.6 m120 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 103' ' ' ASN . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.543 ' HB2' HG13 ' A' ' 118' ' ' VAL . 10.9 m120 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 117' ' ' TYR . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 112' ' ' GLU . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 105' ' ' VAL 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 103' ' ' ASN 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' GLU . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OXT' ' OD1' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 1.224 ' N ' ' OE1' ' A' ' 42' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -143.89 51.09 1.33 Allowed 'General case' 0 C--N 1.354 0.773 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 119' ' ' TYR . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.412 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 24' ' ' ASN 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 39' ' ' THR 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 38' ' ' LEU . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 1.224 ' OE1' ' N ' ' A' ' 1' ' ' ALA . 34.1 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 30' ' ' LEU . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 89' ' ' LEU 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 118' ' ' VAL . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CG ' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 102' ' ' LEU . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.419 ' O ' HD12 ' A' ' 102' ' ' LEU . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 58.3 171.07 0.06 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.943 0.777 . . . . 0.0 111.988 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 1.028 HG22 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.445 ' CD1' HD13 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 124' ' ' ALA . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.3 p30 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CE2' HG11 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.631 ' N ' HD13 ' A' ' 78' ' ' LEU 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.527 ' CE3' ' HB3' ' A' ' 89' ' ' LEU . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 89' ' ' LEU 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 84' ' ' LEU 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 78' ' ' LEU . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 112' ' ' GLU . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' ILE . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 105' ' ' VAL . 11.1 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.652 ' CD1' HD13 ' A' ' 102' ' ' LEU . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 1.028 ' OXT' HG22 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 117.822 -1.085 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 50.34 36.37 12.81 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 110.612 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.638 ' CH2' HD11 ' A' ' 108' ' ' ILE . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 119' ' ' TYR . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.555 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' ASN 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 38' ' ' LEU . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 89' ' ' LEU 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.606 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 89' ' ' LEU 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.606 HD23 ' CE3' ' A' ' 82' ' ' TRP 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.638 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HD13 ' A' ' 108' ' ' ILE . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.443 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' OXT' ' CG ' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.431 ' HB3' HE21 ' A' ' 42' ' ' GLN . 59.4 t80 -79.96 74.96 6.7 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.334 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.452 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.483 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 57.4 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 60' ' ' VAL . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 58' ' ' ILE . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.962 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.746 HD13 ' CD2' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 84' ' ' LEU . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.962 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' ND2' ' CZ ' ' A' ' 119' ' ' TYR 0.296 2.4 m120 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 128' ' ' PHE 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -74.01 150.96 40.38 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.173 0.897 . . . . 0.0 109.969 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CH2' HD11 ' A' ' 108' ' ' ILE . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 21' ' ' MET . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' A' ' 52' ' ' SER . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 49' ' ' VAL 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.459 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 38' ' ' LEU . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.896 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CD2' HG21 ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 119' ' ' TYR 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CA ' ' HA ' ' A' ' 94' ' ' LYS . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 103' ' ' ASN . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 102' ' ' LEU . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.412 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.651 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' HD13 ' A' ' 108' ' ' ILE . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 115' ' ' GLN . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 113' ' ' LEU . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 105' ' ' VAL . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OXT' ' OD1' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -148.08 -54.05 0.2 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 40' ' ' ILE 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HD13 ' A' ' 40' ' ' ILE . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 89' ' ' LEU . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 82' ' ' TRP 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 103' ' ' ASN . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.666 ' N ' HD23 ' A' ' 102' ' ' LEU . 8.8 m120 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 114' ' ' VAL 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 108' ' ' ILE 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 107' ' ' GLU . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 117.513 -1.232 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 49.65 46.4 23.76 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.92 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 27' ' ' LYS 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 40' ' ' ILE 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 38' ' ' LEU . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.498 ' OE1' ' CE2' ' A' ' 47' ' ' PHE . 62.0 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 89' ' ' LEU 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 47' ' ' PHE 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.514 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 119' ' ' TYR . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 108' ' ' ILE 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.577 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.92 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--O 1.221 -0.415 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 24' ' ' ASN 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 23' ' ' VAL 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 38' ' ' LEU . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.43 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 103' ' ' ASN . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 2.9 m-80 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 116' ' ' THR . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.424 HG23 ' CG1' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 . . . . . 0 CA--C 1.513 -0.467 0 CA-C-O 119.018 -0.515 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 53' ' ' SER . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.488 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 1.9 mm-40 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 36' ' ' LEU . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.522 ' HB2' HD23 ' A' ' 36' ' ' LEU . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 64' ' ' LEU 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 p30 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 . . . . . 0 C--O 1.223 -0.334 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.827 HG13 ' HB3' ' A' ' 27' ' ' LYS . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.827 ' HB3' HG13 ' A' ' 23' ' ' VAL 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.526 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 70' ' ' TYR . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.665 ' CE3' HD23 ' A' ' 89' ' ' LEU . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.665 HD23 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 90' ' ' ILE . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 1.5 m-80 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 103' ' ' ASN . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.543 ' HB2' HG13 ' A' ' 118' ' ' VAL . 9.9 m-80 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 117' ' ' TYR . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 112' ' ' GLU . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 105' ' ' VAL 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 103' ' ' ASN 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' GLU . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 . . . . . 0 CA--C 1.51 -0.564 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 119' ' ' TYR . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.412 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 24' ' ' ASN 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 39' ' ' THR 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 38' ' ' LEU . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.436 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 34.1 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 30' ' ' LEU . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 89' ' ' LEU 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 p30 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 118' ' ' VAL . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CG ' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 102' ' ' LEU . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.419 ' O ' HD12 ' A' ' 102' ' ' LEU . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 C--O 1.22 -0.48 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 1.028 HG22 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.445 ' CD1' HD13 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 124' ' ' ALA . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CE2' HG11 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 78' ' ' LEU 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.527 ' CE3' ' HB3' ' A' ' 89' ' ' LEU . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 89' ' ' LEU 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 84' ' ' LEU 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 78' ' ' LEU . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 112' ' ' GLU . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' ILE . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 105' ' ' VAL . 7.5 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.652 ' CD1' HD13 ' A' ' 102' ' ' LEU . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 1.028 ' OXT' HG22 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 119.087 -0.482 . . . . 0.0 110.612 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.638 ' CH2' HD11 ' A' ' 108' ' ' ILE . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 119' ' ' TYR . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.555 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' ASN 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 38' ' ' LEU . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 89' ' ' LEU 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.606 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 89' ' ' LEU 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.606 HD23 ' CE3' ' A' ' 82' ' ' TRP 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.529 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.638 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HD13 ' A' ' 108' ' ' ILE . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.443 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.413 ' OXT' ' CG ' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.22 -0.485 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.452 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.63 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 36.3 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.746 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 60' ' ' VAL . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 58' ' ' ILE . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.962 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.746 HD13 ' CD2' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 84' ' ' LEU . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.962 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.296 1.5 m-80 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 128' ' ' PHE 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 CA--C 1.512 -0.486 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CH2' HD11 ' A' ' 108' ' ' ILE . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 21' ' ' MET . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' A' ' 52' ' ' SER . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 49' ' ' VAL 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.459 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 38' ' ' LEU . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.896 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CD2' HG21 ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 119' ' ' TYR 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CA ' ' HA ' ' A' ' 94' ' ' LYS . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 103' ' ' ASN . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 102' ' ' LEU . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.412 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.651 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' HD13 ' A' ' 108' ' ' ILE . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 115' ' ' GLN . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 113' ' ' LEU . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 105' ' ' VAL . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 . . . . . 0 C--O 1.222 -0.385 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 40' ' ' ILE 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HD13 ' A' ' 40' ' ' ILE . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 89' ' ' LEU . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 82' ' ' TRP 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 103' ' ' ASN . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.666 ' N ' HD23 ' A' ' 102' ' ' LEU . 4.1 m-80 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 114' ' ' VAL 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 108' ' ' ILE 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 107' ' ' GLU . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 . . . . . 0 C--O 1.22 -0.486 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.92 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 27' ' ' LYS 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 40' ' ' ILE 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 38' ' ' LEU . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 39.9 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 89' ' ' LEU 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 47' ' ' PHE 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.514 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 119' ' ' TYR . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 108' ' ' ILE 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.577 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.92 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.036 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 2.0 t80 44.06 49.18 7.46 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 112.878 0.695 . . . . 0.0 112.878 175.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -158.23 103.47 1.82 Allowed 'General case' 0 C--N 1.351 0.662 0 N-CA-C 104.935 -2.246 . . . . 0.0 104.935 178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.264 16.9 m -164.4 164.04 22.19 Favored 'General case' 0 CA--C 1.5 -0.97 0 C-N-CA 118.941 -1.104 . . . . 0.0 112.952 -153.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.19 134.0 35.55 Favored 'General case' 0 CA--C 1.504 -0.826 0 N-CA-C 102.363 -3.199 . . . . 0.0 102.363 156.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 90.1 m95 -118.41 165.34 14.0 Favored 'General case' 0 CA--C 1.507 -0.678 0 N-CA-C 105.626 -1.99 . . . . 0.0 105.626 162.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.94 159.49 44.53 Favored 'General case' 0 CA--C 1.503 -0.849 0 CA-C-O 118.003 -0.999 . . . . 0.0 109.989 172.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' HA ' ' CD1' ' A' ' 128' ' ' PHE 0.273 3.8 p -59.91 136.53 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.885 0 C-N-CA 118.155 -1.418 . . . . 0.0 110.729 -174.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -104.66 -64.85 1.08 Allowed 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 103.688 -2.708 . . . . 0.0 103.688 172.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.264 19.9 mmm-85 -126.72 168.55 14.23 Favored 'General case' 0 CA--C 1.504 -0.802 0 O-C-N 123.72 0.638 . . . . 0.0 110.476 -176.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.79 154.87 34.78 Favored 'General case' 0 CA--C 1.504 -0.791 0 C-N-CA 119.205 -0.998 . . . . 0.0 110.645 168.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -147.93 146.02 28.84 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 108.082 -1.081 . . . . 0.0 108.082 -173.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-20 33.93 44.0 0.08 Allowed 'General case' 0 C--N 1.356 0.852 0 O-C-N 123.504 0.503 . . . . 0.0 111.656 -162.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -88.27 -29.47 20.38 Favored 'General case' 0 C--N 1.348 0.518 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.307 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -87.73 -39.63 14.79 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 175.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -49.34 -51.87 31.72 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 122.152 0.977 . . . . 0.0 108.423 172.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 29.6 t80 -61.52 -48.13 82.43 Favored 'General case' 0 CA--C 1.508 -0.661 0 CA-C-N 114.582 -1.19 . . . . 0.0 111.952 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.42 ' O ' ' C ' ' A' ' 19' ' ' GLU . 1.0 OUTLIER -63.04 -42.82 99.83 Favored 'General case' 0 C--N 1.353 0.745 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 -177.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.9 tt0 -45.71 -44.0 13.24 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 120.494 1.497 . . . . 0.0 108.828 175.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.493 ' O ' ' CE2' ' A' ' 119' ' ' TYR . 99.5 mttt -87.15 0.1 55.84 Favored 'General case' 0 C--N 1.352 0.71 0 N-CA-C 118.651 2.834 . . . . 0.0 118.651 -178.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 83.5 mmm -67.46 -11.61 58.28 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 119.245 0.93 . . . . 0.0 109.069 156.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 64.6 54.27 29.96 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 105.057 -3.217 . . . . 0.0 105.057 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 24' ' ' ASN 0.436 1.7 p -83.56 -153.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.633 1 N-CA-C 99.19 -4.374 . . . . 0.0 99.19 171.288 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.445 ' N ' HG13 ' A' ' 23' ' ' VAL 0.286 0.1 OUTLIER -146.82 159.57 43.35 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-N 122.006 2.185 . . . . 0.0 110.284 161.726 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 2.0 tt -36.47 -51.71 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.5 -0.949 0 O-C-N 123.84 0.713 . . . . 0.0 111.626 -166.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.356 0.2 OUTLIER -75.5 -27.51 19.15 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.94 0 CA-C-O 116.729 -1.605 . . . . 0.0 109.687 -165.344 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.24 -55.3 22.15 Favored 'General case' 0 CA--C 1.501 -0.94 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 169.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.2 mtm105 -56.68 -32.81 65.79 Favored 'General case' 0 CA--C 1.501 -0.919 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -66.81 -17.79 65.05 Favored 'General case' 0 CA--C 1.506 -0.724 0 CA-C-O 117.221 -1.371 . . . . 0.0 109.213 -177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . 0.267 1.5 pt? -101.68 -29.86 11.67 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 115.655 -2.117 . . . . 0.0 112.375 164.03 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.55 -38.12 66.24 Favored 'General case' 0 C--N 1.351 0.667 0 CA-C-N 122.887 2.585 . . . . 0.0 107.513 178.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.252 . . -23.69 -47.15 0.01 OUTLIER 'General case' 0 C--N 1.355 0.826 0 O-C-N 125.025 1.453 . . . . 0.0 114.375 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -138.55 28.43 2.45 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-N 113.727 -1.579 . . . . 0.0 109.639 -162.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -94.8 -44.71 7.64 Favored 'General case' 0 CA--C 1.499 -0.984 0 CA-C-O 117.861 -1.066 . . . . 0.0 111.383 178.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 79.16 178.56 0.12 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.367 1.042 . . . . 0.0 109.134 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -163.16 148.11 11.41 Favored 'General case' 0 C--N 1.35 0.6 0 CA-C-O 116.859 -1.543 . . . . 0.0 107.158 -166.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.5 ptpt -156.11 -177.05 6.3 Favored 'General case' 0 CA--C 1.489 -1.387 0 CA-C-N 121.569 1.986 . . . . 0.0 114.161 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD11 HG13 ' A' ' 49' ' ' VAL . 0.2 OUTLIER -125.64 150.64 47.4 Favored 'General case' 0 C--N 1.352 0.674 0 O-C-N 126.554 2.409 . . . . 0.0 111.505 161.482 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.5 m -109.63 104.62 13.67 Favored 'General case' 0 CA--C 1.501 -0.905 0 N-CA-C 103.726 -2.694 . . . . 0.0 103.726 138.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 tt -97.24 148.31 5.71 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.008 0 N-CA-C 105.225 -2.139 . . . . 0.0 105.225 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 99.8 m -160.12 92.16 0.99 Allowed 'General case' 0 CA--C 1.503 -0.864 0 N-CA-C 105.256 -2.128 . . . . 0.0 105.256 -178.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.503 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 41.7 mt-30 -72.59 162.75 29.08 Favored 'General case' 0 CA--C 1.505 -0.776 0 C-N-CA 118.145 -1.422 . . . . 0.0 108.079 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.441 ' O ' ' N ' ' A' ' 45' ' ' ASN . 10.5 mm-40 -144.56 -165.67 2.2 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-O 115.873 -2.013 . . . . 0.0 105.712 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -38.84 89.16 0.01 OUTLIER Glycine 0 C--N 1.355 1.607 0 CA-C-N 122.05 2.204 . . . . 0.0 114.306 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 43' ' ' GLU . 0.9 OUTLIER 52.85 32.18 11.96 Favored 'General case' 0 CA--C 1.499 -1.004 0 CA-C-N 118.272 1.036 . . . . 0.0 112.675 179.863 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.9 ptpt -136.6 174.18 10.9 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-O 118.11 -0.948 . . . . 0.0 111.951 -175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.503 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 47.8 m-85 -136.59 108.54 7.14 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 117.447 -1.264 . . . . 0.0 110.103 -168.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 m -94.9 102.64 14.49 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 103.954 -2.61 . . . . 0.0 103.954 172.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.438 HG13 HD11 ' A' ' 38' ' ' LEU . 90.8 t -105.28 87.64 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.357 0.934 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 -169.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -84.09 98.1 9.69 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -106.99 138.92 42.24 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 -166.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.4 t -157.29 160.27 38.4 Favored 'General case' 0 CA--C 1.494 -1.196 0 C-N-CA 117.456 -1.697 . . . . 0.0 115.054 -165.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.8 t -156.08 176.25 12.9 Favored 'General case' 0 CA--C 1.506 -0.726 0 O-C-N 125.07 1.481 . . . . 0.0 110.118 -176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.2 -32.65 66.69 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 108.046 -1.094 . . . . 0.0 108.046 171.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -51.08 -68.9 0.13 Allowed 'General case' 0 C--N 1.358 0.975 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.214 172.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 24.8 tpt180 -173.23 147.79 1.59 Allowed 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.255 1.389 . . . . 0.0 109.912 -176.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -73.06 133.38 44.18 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 116.791 -1.576 . . . . 0.0 109.462 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.6 mm -116.68 133.04 64.57 Favored 'Isoleucine or valine' 0 C--N 1.358 0.963 0 CA-C-O 116.568 -1.682 . . . . 0.0 106.747 178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -92.04 125.4 36.72 Favored 'General case' 0 C--N 1.354 0.786 0 N-CA-C 105.125 -2.176 . . . . 0.0 105.125 169.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 19.3 t -123.76 81.13 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.355 0.814 0 N-CA-C 105.518 -2.03 . . . . 0.0 105.518 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -86.79 143.53 11.18 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 119.925 -0.71 . . . . 0.0 111.11 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.619 ' CE2' ' CD1' ' A' ' 82' ' ' TRP . 34.9 p90 -156.82 157.25 34.63 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 116.547 -1.692 . . . . 0.0 108.886 172.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -112.34 -22.06 11.08 Favored 'General case' 0 C--N 1.356 0.862 0 CA-C-O 116.541 -1.695 . . . . 0.0 114.303 -177.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . 0.381 3.4 pp 149.38 113.53 0.0 OUTLIER 'General case' 0 C--N 1.352 0.69 0 N-CA-C 105.112 -2.181 . . . . 0.0 105.112 169.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.08 50.42 40.29 Favored Glycine 0 C--N 1.352 1.438 0 N-CA-C 108.572 -1.811 . . . . 0.0 108.572 -175.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.13 144.07 37.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.929 0 CA-C-O 116.389 -1.767 . . . . 0.0 109.716 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 34.6 m -108.69 149.35 29.1 Favored 'General case' 0 C--N 1.366 1.293 0 O-C-N 125.041 1.463 . . . . 0.0 109.946 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 p90 -167.62 172.05 9.7 Favored 'General case' 0 C--N 1.358 0.951 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.71 153.68 19.48 Favored 'General case' 0 C--N 1.36 1.035 0 O-C-N 124.321 1.013 . . . . 0.0 112.113 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -146.85 148.22 31.63 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 104.73 -2.322 . . . . 0.0 104.73 172.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -145.17 132.87 21.01 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.004 -1.474 . . . . 0.0 108.556 -169.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 55.6 mt -79.46 162.12 25.66 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.556 1.526 . . . . 0.0 108.054 179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.15 -29.33 65.09 Favored 'General case' 0 CA--C 1.51 -0.569 0 CA-C-O 118.651 -0.69 . . . . 0.0 111.906 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -62.23 -47.81 82.75 Favored 'General case' 0 CA--C 1.505 -0.755 0 N-CA-C 107.527 -1.286 . . . . 0.0 107.527 -175.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.2 68.96 0.02 OUTLIER Glycine 0 C--N 1.35 1.332 0 N-CA-C 107.676 -2.17 . . . . 0.0 107.676 176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.7 m -137.74 155.12 49.41 Favored 'General case' 0 CA--C 1.496 -1.118 0 N-CA-C 106.505 -1.665 . . . . 0.0 106.505 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.65 155.8 30.37 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 125.106 1.504 . . . . 0.0 108.309 175.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 6.3 tp -167.72 132.88 1.91 Allowed 'General case' 0 C--N 1.352 0.697 0 CA-C-O 116.029 -1.939 . . . . 0.0 107.539 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 30.7 mtm180 -127.73 158.13 38.48 Favored 'General case' 0 CA--C 1.491 -1.289 0 CA-C-N 121.371 1.896 . . . . 0.0 110.779 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -168.1 173.27 42.94 Favored Glycine 0 C--N 1.352 1.432 0 C-N-CA 118.704 -1.712 . . . . 0.0 114.605 -174.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.61 163.17 18.44 Favored 'General case' 0 CA--C 1.503 -0.863 0 O-C-N 125.928 1.605 . . . . 0.0 108.758 -177.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.619 ' CD1' ' CE2' ' A' ' 62' ' ' PHE . 26.8 m95 -141.65 152.2 43.74 Favored 'General case' 0 CA--C 1.507 -0.69 0 CA-C-O 117.255 -1.355 . . . . 0.0 110.398 169.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.7 t -156.63 164.21 38.43 Favored 'General case' 0 CA--C 1.496 -1.123 0 O-C-N 125.671 1.857 . . . . 0.0 113.175 165.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -116.48 127.57 54.68 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 125.967 2.042 . . . . 0.0 109.312 -166.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.85 135.13 16.94 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 116.957 -1.496 . . . . 0.0 108.346 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 55.1 39.45 70.02 Favored Glycine 0 C--N 1.354 1.556 0 CA-C-N 120.698 1.59 . . . . 0.0 112.769 -179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 54.43 34.69 21.43 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.692 1.246 . . . . 0.0 113.254 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.99 153.95 37.41 Favored 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 172.291 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.477 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 3.4 mm? -104.41 150.32 24.63 Favored 'General case' 0 CA--C 1.491 -1.305 0 C-N-CA 118.632 -1.227 . . . . 0.0 109.606 -174.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 12.6 mt -125.47 116.29 46.11 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.923 0 O-C-N 126.732 2.52 . . . . 0.0 106.647 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.43 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -134.05 166.2 24.1 Favored Glycine 0 C--N 1.361 1.951 0 CA-C-O 123.64 1.689 . . . . 0.0 111.629 -175.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.49 149.68 29.52 Favored 'General case' 0 CA--C 1.491 -1.289 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 -167.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -145.84 174.58 11.11 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.716 1.26 . . . . 0.0 108.083 -176.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.9 tttt -161.48 130.55 4.55 Favored 'General case' 0 C--N 1.35 0.604 0 CA-C-N 119.329 0.968 . . . . 0.0 111.855 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -70.74 158.73 35.78 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 173.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.2 t -133.89 42.94 2.89 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 106.351 -1.722 . . . . 0.0 106.351 179.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . 0.253 6.0 t0 -140.85 -68.23 0.4 Allowed 'General case' 0 C--N 1.351 0.641 0 N-CA-C 103.28 -2.859 . . . . 0.0 103.28 -173.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -54.05 -59.19 4.98 Favored 'General case' 0 C--N 1.346 0.43 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 155.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 91.66 67.14 1.14 Allowed Glycine 0 C--N 1.357 1.718 0 N-CA-C 107.327 -2.309 . . . . 0.0 107.327 -164.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -150.59 155.92 40.37 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.316 -1.325 . . . . 0.0 109.424 175.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.27 45.6 mt-10 -89.1 147.7 24.08 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 171.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.401 HD23 ' N ' ' A' ' 103' ' ' ASN . 8.5 tt -115.8 151.8 34.52 Favored 'General case' 0 CA--C 1.496 -1.112 0 CA-C-N 112.662 -2.063 . . . . 0.0 106.706 166.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.401 ' N ' HD23 ' A' ' 102' ' ' LEU . 2.9 m-80 -130.22 95.94 4.04 Favored 'General case' 0 N--CA 1.445 -0.675 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 -174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 35.3 p -81.49 163.98 22.32 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 123.918 0.761 . . . . 0.0 111.658 178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.424 ' CG1' HG23 ' A' ' 116' ' ' THR . 8.1 p -161.68 137.06 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.492 -1.267 0 CA-C-O 117.135 -1.412 . . . . 0.0 112.695 168.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.3 OUTLIER -118.56 156.2 29.57 Favored 'General case' 0 N--CA 1.438 -1.04 0 O-C-N 125.659 1.849 . . . . 0.0 108.8 -171.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.6 tt0 -162.46 149.1 13.16 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 117.537 -1.22 . . . . 0.0 108.7 172.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.2 tp -105.73 98.44 6.88 Favored 'Isoleucine or valine' 0 C--N 1.351 0.635 0 CA-C-O 117.238 -1.363 . . . . 0.0 109.509 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -119.32 158.66 20.63 Favored 'Isoleucine or valine' 0 C--N 1.363 1.17 0 CA-C-N 121.032 1.742 . . . . 0.0 110.511 172.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.99 29.98 62.92 Favored Glycine 0 C--N 1.35 1.326 0 C-N-CA 118.973 -1.584 . . . . 0.0 116.093 165.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 4.2 p30 47.42 45.47 17.1 Favored 'General case' 0 C--N 1.347 0.479 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 -170.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -152.5 142.19 21.9 Favored 'General case' 0 CA--C 1.508 -0.636 0 CA-C-N 113.946 -1.479 . . . . 0.0 107.657 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.6 tt -110.28 99.38 8.43 Favored 'General case' 0 CA--C 1.498 -1.02 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -71.76 154.19 7.75 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.644 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.05 170.8 14.45 Favored 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 154.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.424 HG23 ' CG1' ' A' ' 105' ' ' VAL . 0.2 OUTLIER -151.94 150.16 29.73 Favored 'General case' 0 C--N 1.351 0.639 0 CA-C-O 117.436 -1.269 . . . . 0.0 108.026 171.005 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -130.34 152.46 49.73 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 116.79 -1.576 . . . . 0.0 109.296 -177.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.8 t -135.85 115.09 16.41 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 CA-C-O 116.561 -1.685 . . . . 0.0 108.093 177.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CE2' ' O ' ' A' ' 20' ' ' LYS . 85.5 t80 -106.95 104.4 14.07 Favored 'General case' 0 C--N 1.361 1.109 0 CA-C-N 120.677 1.581 . . . . 0.0 108.631 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 48.36 6.08 0.01 OUTLIER 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 117.263 2.319 . . . . 0.0 117.263 -174.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 161.56 -50.89 0.34 Allowed Glycine 0 CA--C 1.493 -1.306 0 C-N-CA 116.675 -2.678 . . . . 0.0 115.396 -158.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 90.4 t -95.32 109.37 22.34 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 112.177 -2.011 . . . . 0.0 106.427 -153.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -79.72 118.64 21.71 Favored 'General case' 0 C--N 1.355 0.808 0 CA-C-O 117.217 -1.373 . . . . 0.0 107.419 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -97.37 168.19 10.55 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 104.479 -2.415 . . . . 0.0 104.479 165.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.27 4.1 ttmt -132.53 149.35 52.34 Favored 'General case' 0 CA--C 1.473 -2.001 0 N-CA-C 105.184 -2.154 . . . . 0.0 105.184 164.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.706 ' CZ ' ' CD1' ' A' ' 128' ' ' PHE 0.525 0.0 OUTLIER -136.67 146.28 45.75 Favored 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 167.046 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.9 mp -123.63 142.24 41.04 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 CA-C-O 117.443 -1.265 . . . . 0.0 109.074 177.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.706 ' CD1' ' CZ ' ' A' ' 126' ' ' ARG 0.314 9.0 m-30 -121.84 172.24 8.32 Favored 'General case' 0 CA--C 1.495 -1.143 0 O-C-N 124.097 0.873 . . . . 0.0 109.947 -178.218 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -153.4 164.04 38.87 Favored 'General case' 0 CA--C 1.51 -0.584 0 C-N-CA 118.784 -1.166 . . . . 0.0 110.507 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 9.6 tttt -81.52 176.72 9.44 Favored 'General case' 0 CA--C 1.498 -1.053 0 O-C-N 124.007 0.817 . . . . 0.0 111.689 -168.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.289 0.6 OUTLIER . . . . . 0 CA--C 1.508 -0.641 0 CA-C-N 113.963 -1.471 . . . . 0.0 109.254 -148.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -67.62 167.53 12.9 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 120.209 -0.597 . . . . 0.0 109.621 176.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 56.0 t0 61.39 82.34 0.17 Allowed 'General case' 0 C--N 1.355 0.825 0 O-C-N 123.651 0.594 . . . . 0.0 110.26 175.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.4 m -153.47 157.67 40.21 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 118.434 -0.793 . . . . 0.0 111.081 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -79.39 94.81 5.6 Favored 'General case' 0 C--N 1.356 0.889 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 171.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -75.84 165.25 25.28 Favored 'General case' 0 CA--C 1.508 -0.661 0 C-N-CA 119.081 -1.047 . . . . 0.0 109.717 177.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 11.1 tmtt? -149.54 131.69 15.41 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 116.688 -1.625 . . . . 0.0 107.057 178.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -36.92 151.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.9 0 CA-C-N 120.016 1.28 . . . . 0.0 113.731 179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -132.63 -62.12 0.83 Allowed 'General case' 0 C--N 1.357 0.928 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.704 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -135.13 171.5 14.35 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 -177.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -151.43 158.95 44.35 Favored 'General case' 0 C--N 1.352 0.706 0 CA-C-O 118.1 -0.953 . . . . 0.0 109.8 178.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.87 144.56 31.8 Favored 'General case' 0 C--N 1.356 0.876 0 CA-C-O 117.518 -1.229 . . . . 0.0 108.771 175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 t30 37.7 38.73 0.17 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-N 118.909 0.777 . . . . 0.0 110.642 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 74.5 t80 -87.84 -52.71 5.14 Favored 'General case' 0 C--N 1.355 0.822 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 -173.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -62.01 -37.93 86.7 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 mmmm -58.61 -53.6 56.53 Favored 'General case' 0 C--N 1.355 0.82 0 C-N-CA 119.737 -0.785 . . . . 0.0 109.174 173.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -52.42 -34.77 49.99 Favored 'General case' 0 CA--C 1.509 -0.634 0 CA-C-O 118.106 -0.95 . . . . 0.0 111.11 178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 25.1 mmt -66.27 -42.29 88.67 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-N 119.78 1.173 . . . . 0.0 109.149 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 61.1 tt0 -59.83 -45.77 91.36 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.079 1.308 . . . . 0.0 110.121 175.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.3 mmpt? -74.75 -39.88 61.57 Favored 'General case' 0 C--N 1.349 0.584 0 C-N-CA 119.695 -0.802 . . . . 0.0 110.805 -169.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 20.0 ptm -63.65 -16.77 61.86 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.742 -1.123 . . . . 0.0 111.982 -177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.84 42.42 4.13 Favored Glycine 0 C--N 1.356 1.656 0 CA-C-O 118.521 -1.155 . . . . 0.0 111.022 -171.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -105.26 134.98 45.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 103.367 -2.827 . . . . 0.0 103.367 167.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.9 t30 -83.79 159.03 21.51 Favored 'General case' 0 C--N 1.355 0.841 0 CA-C-N 119.082 0.855 . . . . 0.0 111.76 -165.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 18.0 tt -51.79 -41.34 29.45 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -174.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.0 -31.96 55.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.475 0 N-CA-C 108.385 -0.968 . . . . 0.0 108.385 -178.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -79.37 -29.03 41.95 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 117.977 -1.011 . . . . 0.0 109.728 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 36.3 mtp-105 -62.84 -51.87 65.35 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-N 120.548 1.522 . . . . 0.0 110.155 177.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -38.5 68.64 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.92 -1.038 . . . . 0.0 110.621 -173.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 pp -77.51 -32.06 53.9 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-O 117.664 -1.16 . . . . 0.0 110.117 175.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.66 -44.34 81.27 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 120.181 1.355 . . . . 0.0 109.735 177.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.66 -34.71 39.29 Favored 'General case' 0 C--N 1.353 0.759 0 CA-C-O 117.691 -1.147 . . . . 0.0 110.67 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -124.62 45.26 2.57 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-N 119.17 0.895 . . . . 0.0 111.159 176.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 41.3 p-10 -79.53 -37.12 37.32 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.876 -1.059 . . . . 0.0 110.28 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m120 67.96 71.91 0.32 Allowed 'General case' 0 C--N 1.354 0.782 0 N-CA-C 107.924 -1.139 . . . . 0.0 107.924 177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.522 HD23 ' HB2' ' A' ' 53' ' ' SER . 1.4 tm? -84.72 142.43 29.85 Favored 'General case' 0 C--N 1.354 0.793 0 CA-C-O 117.712 -1.137 . . . . 0.0 109.016 -175.444 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -129.62 164.65 23.41 Favored 'General case' 0 C--N 1.36 1.038 0 CA-C-N 119.449 1.022 . . . . 0.0 109.36 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.48 108.33 4.52 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.694 -1.146 . . . . 0.0 108.576 -171.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 89.9 m -94.59 93.56 7.66 Favored 'General case' 0 C--N 1.356 0.869 0 CA-C-N 120.279 1.399 . . . . 0.0 108.04 174.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 tt -84.16 150.21 4.18 Favored 'Isoleucine or valine' 0 C--N 1.356 0.88 0 N-CA-C 107.036 -1.468 . . . . 0.0 107.036 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -163.07 140.37 7.69 Favored 'General case' 0 C--N 1.351 0.661 0 CA-C-O 117.405 -1.283 . . . . 0.0 108.065 178.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.488 ' NE2' ' CE1' ' A' ' 47' ' ' PHE . 1.9 mm-40 -86.04 150.76 24.23 Favored 'General case' 0 C--N 1.356 0.865 0 CA-C-N 119.746 1.157 . . . . 0.0 109.098 178.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 45' ' ' ASN . 67.8 mm-40 -139.59 -174.81 3.99 Favored 'General case' 0 C--N 1.353 0.727 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.71 94.4 0.01 OUTLIER Glycine 0 C--N 1.354 1.558 0 CA-C-N 121.006 1.73 . . . . 0.0 110.781 178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' N ' ' O ' ' A' ' 43' ' ' GLU . 59.0 t30 44.61 57.42 4.49 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 118.489 1.145 . . . . 0.0 110.195 -176.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -163.94 130.59 3.19 Favored 'General case' 0 C--N 1.357 0.908 0 CA-C-O 117.981 -1.009 . . . . 0.0 112.446 178.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.488 ' CE1' ' NE2' ' A' ' 42' ' ' GLN . 84.3 m-85 -93.64 93.08 7.84 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 -178.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.7 t -73.24 144.68 46.61 Favored 'General case' 0 C--N 1.354 0.786 0 C-N-CA 118.955 -1.098 . . . . 0.0 108.839 178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 t -137.77 152.7 26.95 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 CA-C-O 118.411 -0.804 . . . . 0.0 109.281 -176.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 55.2 tttm -142.89 95.12 2.72 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 175.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.435 ' HG2' HD21 ' A' ' 36' ' ' LEU . 35.5 tt0 -91.4 70.55 6.01 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -169.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -80.81 137.62 36.22 Favored 'General case' 0 C--N 1.353 0.753 0 CA-C-O 116.943 -1.504 . . . . 0.0 112.396 -169.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.522 ' HB2' HD23 ' A' ' 36' ' ' LEU . 4.9 t -137.26 175.86 9.23 Favored 'General case' 0 C--N 1.359 0.985 0 O-C-N 124.058 0.848 . . . . 0.0 111.366 -178.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.15 -40.69 70.9 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-O 117.902 -1.047 . . . . 0.0 108.296 169.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 85.0 m-85 -45.74 -65.13 0.59 Allowed 'General case' 0 C--N 1.357 0.913 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.105 175.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -177.72 166.39 2.13 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.828 -1.558 . . . . 0.0 108.644 -178.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -57.49 147.63 26.06 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 121.261 1.846 . . . . 0.0 108.923 169.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.8 mt -136.1 87.92 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.359 0.98 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -68.52 131.85 45.96 Favored 'General case' 0 C--N 1.353 0.746 0 CA-C-O 117.454 -1.26 . . . . 0.0 108.022 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 35.6 t -133.83 151.03 32.18 Favored 'Isoleucine or valine' 0 C--N 1.354 0.8 0 N-CA-C 105.793 -1.928 . . . . 0.0 105.793 173.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 p -150.21 140.98 16.61 Favored 'Isoleucine or valine' 0 C--N 1.353 0.747 0 CA-C-N 120.803 1.638 . . . . 0.0 109.637 -177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -167.86 159.93 11.95 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 120.003 1.274 . . . . 0.0 110.816 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -121.7 -72.93 0.66 Allowed 'General case' 0 C--N 1.355 0.805 0 O-C-N 124.335 1.022 . . . . 0.0 108.334 -179.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.491 HD22 ' C ' ' A' ' 64' ' ' LEU 0.262 0.0 OUTLIER -152.47 138.44 18.13 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 117.898 -1.049 . . . . 0.0 109.094 176.452 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 44.85 35.71 4.53 Favored Glycine 0 C--N 1.354 1.56 0 CA-C-O 117.878 -1.512 . . . . 0.0 112.544 -176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 t -98.86 138.39 23.48 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 N-CA-C 106.754 -1.572 . . . . 0.0 106.754 178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 97.4 m -103.46 152.16 21.98 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 107.471 -1.307 . . . . 0.0 107.471 177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -160.03 163.89 33.65 Favored 'General case' 0 C--N 1.353 0.719 0 CA-C-O 118.008 -0.996 . . . . 0.0 110.45 -178.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -101.01 164.0 12.02 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 123.825 0.703 . . . . 0.0 109.878 -177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.09 114.8 2.28 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 116.923 -1.513 . . . . 0.0 107.967 -177.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -110.22 145.28 37.59 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 119.789 1.177 . . . . 0.0 109.006 176.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.6 mt -93.08 166.31 12.41 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 173.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.3 -45.9 82.54 Favored 'General case' 0 C--N 1.354 0.767 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.755 178.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -52.8 -36.63 58.69 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 118.616 -0.707 . . . . 0.0 111.822 -176.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 115.41 65.58 0.4 Allowed Glycine 0 C--N 1.354 1.536 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 -176.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.8 m -137.34 96.71 3.32 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 103.255 -2.869 . . . . 0.0 103.255 178.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -89.99 135.32 33.72 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 117.56 -1.21 . . . . 0.0 109.7 -172.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -159.64 161.99 35.1 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.994 -1.003 . . . . 0.0 111.138 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -133.0 163.92 28.14 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 117.242 -1.361 . . . . 0.0 109.444 -175.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.59 -175.79 44.21 Favored Glycine 0 C--N 1.355 1.589 0 C-N-CA 119.476 -1.345 . . . . 0.0 113.677 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 p -131.75 172.67 12.0 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 124.772 0.925 . . . . 0.0 110.793 -175.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . . . . . . . . . 43.1 m95 -147.58 150.42 34.44 Favored 'General case' 0 C--N 1.354 0.804 0 CA-C-O 117.705 -1.141 . . . . 0.0 109.407 172.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.7 m -151.98 117.84 5.46 Favored 'General case' 0 C--N 1.357 0.9 0 CA-C-O 117.773 -1.108 . . . . 0.0 109.934 175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.43 125.59 27.43 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 178.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -161.85 159.02 26.38 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.501 -177.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 47.59 43.98 22.14 Favored Glycine 0 C--N 1.354 1.567 0 CA-C-N 120.022 1.283 . . . . 0.0 113.057 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 p30 48.19 39.56 12.14 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-N 118.481 1.141 . . . . 0.0 112.703 -177.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.8 -179.99 8.04 Favored 'General case' 0 C--N 1.353 0.737 0 CA-C-O 117.845 -1.074 . . . . 0.0 108.948 175.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.3 mt -114.37 127.91 56.08 Favored 'General case' 0 CA--C 1.509 -0.618 0 CA-C-O 116.314 -1.803 . . . . 0.0 107.848 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.3 tt -102.84 127.59 56.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.027 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 174.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -128.05 157.91 21.31 Favored Glycine 0 C--N 1.353 1.505 0 N-CA-C 108.478 -1.849 . . . . 0.0 108.478 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.58 145.07 26.6 Favored 'General case' 0 CA--C 1.501 -0.906 0 N-CA-C 107.439 -1.319 . . . . 0.0 107.439 173.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 56.8 m-85 -138.38 171.31 14.57 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 -176.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -162.19 132.05 4.62 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-O 118.56 -0.733 . . . . 0.0 109.064 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -79.12 104.9 10.07 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -172.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.6 t -58.63 -30.49 67.31 Favored 'General case' 0 C--N 1.354 0.775 0 CA-C-O 118.258 -0.877 . . . . 0.0 112.111 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -74.95 -46.35 36.13 Favored 'General case' 0 C--N 1.352 0.708 0 CA-C-N 119.338 0.972 . . . . 0.0 110.316 -178.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -92.48 -35.08 13.83 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -171.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.4 45.85 5.71 Favored Glycine 0 C--N 1.352 1.442 0 N-CA-C 109.735 -1.346 . . . . 0.0 109.735 -173.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -118.63 116.13 25.97 Favored 'General case' 0 C--N 1.355 0.806 0 N-CA-C 105.165 -2.161 . . . . 0.0 105.165 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -58.76 165.44 2.3 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 119.101 -1.04 . . . . 0.0 109.338 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 13.1 tp -149.39 88.21 1.56 Allowed 'General case' 0 C--N 1.349 0.57 0 N-CA-C 105.422 -2.066 . . . . 0.0 105.422 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -80.32 142.7 34.24 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 20.1 p -144.56 129.4 18.33 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 116.789 -1.577 . . . . 0.0 108.109 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -111.31 163.66 7.89 Favored 'Isoleucine or valine' 0 C--N 1.353 0.753 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -141.98 151.03 42.14 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 117.792 -1.099 . . . . 0.0 108.36 169.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -172.01 134.75 0.77 Allowed 'General case' 0 C--N 1.355 0.817 0 CA-C-O 117.696 -1.145 . . . . 0.0 110.101 -175.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.1 tp -77.89 143.94 12.07 Favored 'Isoleucine or valine' 0 C--N 1.355 0.818 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.796 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.64 123.85 52.95 Favored 'Isoleucine or valine' 0 C--N 1.359 0.985 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 164.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.78 -108.39 0.71 Allowed Glycine 0 C--N 1.356 1.643 0 CA-C-O 118.055 -1.414 . . . . 0.0 109.611 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -132.66 53.31 2.02 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -145.2 118.41 8.92 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.7 tt -75.91 137.39 40.34 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 47.0 t -109.33 153.47 11.08 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 CA-C-O 117.773 -1.108 . . . . 0.0 108.184 -177.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -147.07 150.95 36.07 Favored 'General case' 0 C--N 1.355 0.82 0 CA-C-O 116.844 -1.55 . . . . 0.0 110.007 178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 44.2 p -141.68 85.27 1.94 Allowed 'General case' 0 C--N 1.359 1.012 0 CA-C-N 119.625 1.102 . . . . 0.0 109.916 -176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.7 m-30 -76.01 148.36 38.12 Favored 'General case' 0 C--N 1.355 0.845 0 CA-C-N 119.709 1.141 . . . . 0.0 109.335 178.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 12.1 t -141.75 135.84 30.33 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 CA-C-O 115.846 -2.026 . . . . 0.0 108.066 178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -138.16 122.1 17.77 Favored 'General case' 0 C--N 1.358 0.946 0 CA-C-N 121.001 1.728 . . . . 0.0 108.39 -176.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 40.86 41.41 1.2 Allowed 'General case' 0 C--N 1.355 0.839 0 CA-C-N 120.216 1.371 . . . . 0.0 112.512 -174.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 92.9 -32.23 5.74 Favored Glycine 0 C--N 1.356 1.645 0 CA-C-O 118.51 -1.161 . . . . 0.0 113.403 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 55.8 t -59.4 153.81 3.73 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.748 0 CA-C-O 116.475 -1.726 . . . . 0.0 107.394 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -128.58 153.65 47.0 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-N 119.794 1.179 . . . . 0.0 111.26 177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -152.85 163.4 39.84 Favored 'General case' 0 CA--C 1.502 -0.866 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 168.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.45 152.19 38.64 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.14 109.13 8.7 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 105.293 -2.114 . . . . 0.0 105.293 -175.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 31.6 mm -78.93 147.74 6.58 Favored 'Isoleucine or valine' 0 C--N 1.353 0.725 0 N-CA-C 103.938 -2.615 . . . . 0.0 103.938 176.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.38 166.49 15.25 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 147.26 28.33 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 177.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.52 151.05 1.18 Allowed 'General case' 0 C--N 1.353 0.754 0 CA-C-N 118.389 0.54 . . . . 0.0 112.344 -173.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.6 t70 . . . . . 0 CA--C 1.505 -0.77 0 O-C-N 120.822 -1.174 . . . . 0.0 107.939 179.554 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -96.01 -92.03 0.22 Allowed 'General case' 0 C--N 1.356 0.855 0 CA-C-O 116.702 -1.618 . . . . 0.0 109.402 177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -152.21 122.01 6.99 Favored 'General case' 0 C--N 1.36 1.034 0 CA-C-N 122.017 2.189 . . . . 0.0 109.856 -173.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.462 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 3.2 m -170.68 174.82 4.83 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 120.804 1.638 . . . . 0.0 112.644 -172.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 36.8 m -113.13 91.08 3.52 Favored 'General case' 0 C--N 1.357 0.909 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 157.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.485 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 52.9 m95 -83.06 171.05 14.19 Favored 'General case' 0 CA--C 1.506 -0.745 0 C-N-CA 116.959 -1.897 . . . . 0.0 109.696 -172.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.4 154.19 43.45 Favored 'General case' 0 CA--C 1.499 -0.996 0 CA-C-O 115.091 -2.385 . . . . 0.0 108.52 173.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 1.1 p -79.93 130.57 35.81 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-N 122.228 2.285 . . . . 0.0 107.931 173.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -115.54 -10.41 11.91 Favored 'General case' 0 C--N 1.348 0.537 0 CA-C-O 115.962 -1.971 . . . . 0.0 110.525 170.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -155.17 161.12 41.3 Favored 'General case' 0 C--N 1.365 1.251 0 CA-C-N 122.662 2.483 . . . . 0.0 116.075 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.515 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.3 OUTLIER -141.98 147.89 37.68 Favored 'General case' 0 C--N 1.36 1.023 0 CA-C-O 116.304 -1.808 . . . . 0.0 112.644 179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' TYR . 8.8 mt-10 -119.39 148.69 42.93 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 116.598 -1.668 . . . . 0.0 110.036 174.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 22.34 41.33 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 N-CA-C 114.252 1.204 . . . . 0.0 114.252 -171.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.417 ' N ' ' O ' ' A' ' 12' ' ' GLU . 3.9 t80 -88.51 -7.14 57.01 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.855 -165.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -93.06 -45.17 8.04 Favored 'General case' 0 C--N 1.353 0.722 0 N-CA-C 106.103 -1.814 . . . . 0.0 106.103 -178.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -57.25 -50.33 73.22 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-O 122.048 0.928 . . . . 0.0 108.497 170.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -63.44 -39.61 94.93 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.063 -1.055 . . . . 0.0 110.734 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' C ' ' A' ' 19' ' ' GLU . 23.4 mtp -63.93 -58.63 6.17 Favored 'General case' 0 CA--C 1.505 -0.773 0 C-N-CA 118.261 -1.376 . . . . 0.0 107.416 174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 18' ' ' MET . 10.3 tt0 -35.97 -37.08 0.1 Allowed 'General case' 0 CA--C 1.504 -0.794 0 CA-C-N 120.003 1.274 . . . . 0.0 112.892 177.116 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -94.91 -32.07 13.38 Favored 'General case' 0 CA--C 1.494 -1.207 0 O-C-N 124.143 0.902 . . . . 0.0 109.854 -163.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.0 ttp -46.49 -35.61 5.84 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-O 117.674 -1.155 . . . . 0.0 108.218 163.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.43 ' O ' ' C ' ' A' ' 23' ' ' VAL . . . 146.24 -45.11 0.81 Allowed Glycine 0 CA--C 1.485 -1.836 0 CA-C-N 121.011 1.732 . . . . 0.0 111.818 -169.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.827 HG13 ' HB3' ' A' ' 27' ' ' LYS . 2.9 t -30.6 133.93 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 O-C-N 127.417 2.481 . . . . 0.0 108.172 175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.476 ' O ' ' C ' ' A' ' 25' ' ' ILE . 6.1 p30 -88.05 168.91 12.42 Favored 'General case' 0 CA--C 1.497 -1.082 0 N-CA-C 105.569 -2.012 . . . . 0.0 105.569 -175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.476 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.3 tt -42.19 -48.89 1.0 Allowed 'Isoleucine or valine' 0 CA--C 1.501 -0.926 0 C-N-CA 119.024 -1.07 . . . . 0.0 109.552 -175.531 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.292 0.3 OUTLIER -76.78 -21.85 14.84 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.618 0 C-N-CA 116.839 -1.944 . . . . 0.0 109.574 -168.491 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.827 ' HB3' HG13 ' A' ' 23' ' ' VAL 0.433 0.1 OUTLIER -66.82 -19.36 65.73 Favored 'General case' 0 C--N 1.357 0.912 0 N-CA-C 114.796 1.406 . . . . 0.0 114.796 175.15 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . 0.252 0.9 OUTLIER -83.85 -28.2 28.19 Favored 'General case' 0 CA--C 1.507 -0.684 0 CA-C-O 116.872 -1.537 . . . . 0.0 111.554 166.614 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -68.63 -43.77 75.61 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-N 121.588 1.994 . . . . 0.0 107.395 175.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -60.44 -43.48 96.78 Favored 'General case' 0 CA--C 1.51 -0.591 0 CA-C-O 117.805 -1.093 . . . . 0.0 108.432 171.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.414 ' CB ' ' SD ' ' A' ' 18' ' ' MET . . . -52.93 -48.22 67.47 Favored 'General case' 0 C--N 1.355 0.83 0 CA-C-N 119.531 1.059 . . . . 0.0 111.367 -178.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -53.25 -36.44 61.1 Favored 'General case' 0 C--N 1.35 0.593 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.8 -173.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -117.0 52.93 0.92 Allowed 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 172.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.406 ' C ' ' OD1' ' A' ' 34' ' ' ASP . 2.3 t0 -108.88 -64.48 1.23 Allowed 'General case' 0 C--N 1.358 0.945 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 172.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m120 77.58 81.63 0.08 Allowed 'General case' 0 C--N 1.354 0.771 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 174.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.9 tt -67.93 158.69 32.17 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 172.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.44 ' O ' ' HG ' ' A' ' 38' ' ' LEU 0.355 0.0 OUTLIER -156.84 176.08 13.22 Favored 'General case' 0 CA--C 1.469 -2.167 0 CA-C-O 117.232 -1.366 . . . . 0.0 108.767 179.087 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 128' ' ' PHE 0.317 0.7 OUTLIER -148.74 175.58 11.1 Favored 'General case' 0 N--CA 1.415 -2.19 0 O-C-N 127.07 2.731 . . . . 0.0 115.913 -164.865 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.9 m -164.16 135.9 4.67 Favored 'General case' 0 CA--C 1.482 -1.671 0 CA-C-N 110.329 -3.123 . . . . 0.0 105.275 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . 0.279 4.7 tt -145.94 149.3 16.45 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.084 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -178.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.1 m -153.45 118.02 4.96 Favored 'General case' 0 CA--C 1.5 -0.978 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 -169.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.526 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 14.7 tp60 -84.94 153.15 23.0 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -173.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -153.9 165.65 35.41 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-O 116.639 -1.648 . . . . 0.0 107.85 -168.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -33.06 94.11 0.01 OUTLIER Glycine 0 C--N 1.354 1.531 0 CA-C-O 117.838 -1.534 . . . . 0.0 113.801 -176.125 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.467 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 7.4 t30 49.57 50.96 17.33 Favored 'General case' 0 C--N 1.358 0.955 0 CA-C-N 118.923 1.361 . . . . 0.0 109.199 -178.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.5 ttmt -162.28 156.17 21.22 Favored 'General case' 0 CA--C 1.501 -0.905 0 CA-C-N 119.415 1.007 . . . . 0.0 111.641 -173.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.654 ' CG ' ' CE1' ' A' ' 62' ' ' PHE 0.299 31.7 m-85 -128.26 115.43 18.32 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 105.935 -1.876 . . . . 0.0 105.935 179.369 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.6 m -95.73 124.76 39.9 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.676 -2.713 . . . . 0.0 103.676 173.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.4 p -119.27 127.32 75.85 Favored 'Isoleucine or valine' 0 C--N 1.362 1.109 0 CA-C-O 116.785 -1.579 . . . . 0.0 108.165 -178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -107.15 129.44 54.84 Favored 'General case' 0 C--N 1.357 0.926 0 N-CA-C 104.946 -2.242 . . . . 0.0 104.946 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.299 19.9 mt-10 -111.23 159.32 18.02 Favored 'General case' 0 CA--C 1.49 -1.355 0 N-CA-C 103.147 -2.909 . . . . 0.0 103.147 175.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 t -159.23 151.68 21.41 Favored 'General case' 0 CA--C 1.49 -1.341 0 C-N-CA 117.453 -1.699 . . . . 0.0 108.633 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 41.8 t -164.64 158.46 17.93 Favored 'General case' 0 CA--C 1.503 -0.839 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.894 -166.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -55.25 -25.19 31.96 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 118.755 -1.178 . . . . 0.0 108.347 174.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -60.5 -68.48 0.3 Allowed 'General case' 0 C--N 1.358 0.976 0 CA-C-N 119.324 0.966 . . . . 0.0 110.559 172.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 14.5 tpp180 -174.59 148.09 1.14 Allowed 'General case' 0 C--N 1.354 0.797 0 CA-C-N 119.544 1.065 . . . . 0.0 109.637 -171.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -74.02 131.56 41.5 Favored 'General case' 0 C--N 1.355 0.821 0 CA-C-O 115.714 -2.089 . . . . 0.0 109.748 177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 70' ' ' TYR . 31.4 pt -137.05 138.9 45.24 Favored 'Isoleucine or valine' 0 C--N 1.361 1.069 0 CA-C-N 121.797 2.09 . . . . 0.0 108.409 174.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -94.48 134.2 37.27 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 104.597 -2.372 . . . . 0.0 104.597 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 6.7 t -126.81 148.27 31.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.845 0 N-CA-C 104.707 -2.331 . . . . 0.0 104.707 176.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.7 p -144.3 150.59 16.53 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.612 0 C-N-CA 118.786 -1.166 . . . . 0.0 108.57 -178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.654 ' CE1' ' CG ' ' A' ' 47' ' ' PHE 0.262 46.6 p90 -149.03 165.96 30.11 Favored 'General case' 0 N--CA 1.431 -1.409 0 O-C-N 125.347 1.654 . . . . 0.0 111.199 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 59.8 tt0 -158.22 71.62 0.59 Allowed 'General case' 0 C--N 1.352 0.693 0 O-C-N 124.585 1.178 . . . . 0.0 108.968 -168.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.44 12.75 5.57 Favored 'General case' 0 C--N 1.349 0.581 0 CA-C-O 117.427 -1.273 . . . . 0.0 111.746 171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 130.33 72.05 0.12 Allowed Glycine 0 C--N 1.358 1.751 0 CA-C-N 120.777 1.626 . . . . 0.0 109.487 -173.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.8 t -126.6 145.38 34.25 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-O 115.675 -2.107 . . . . 0.0 109.21 179.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -107.07 141.35 38.43 Favored 'General case' 0 C--N 1.363 1.159 0 O-C-N 125.369 1.668 . . . . 0.0 109.985 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -171.17 158.95 5.7 Favored 'General case' 0 C--N 1.359 1.006 0 CA-C-N 120.465 1.484 . . . . 0.0 114.555 -173.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -83.76 137.76 33.58 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 -175.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.42 ' CE2' HD11 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -114.25 141.18 47.9 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 102.739 -3.06 . . . . 0.0 102.739 165.249 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -125.25 161.5 26.79 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 120.176 1.353 . . . . 0.0 109.045 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 9.1 tp -123.29 134.04 54.1 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -176.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.6 -28.27 3.35 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 119.99 1.268 . . . . 0.0 113.932 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -46.91 -43.01 18.54 Favored 'General case' 0 CA--C 1.505 -0.787 0 N-CA-C 106.563 -1.643 . . . . 0.0 106.563 176.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.97 69.2 0.2 Allowed Glycine 0 C--N 1.349 1.297 0 N-CA-C 104.738 -3.345 . . . . 0.0 104.738 172.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -152.28 167.22 29.35 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 119.779 -0.769 . . . . 0.0 109.744 -169.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -144.48 120.8 10.92 Favored 'General case' 0 C--N 1.349 0.552 0 O-C-N 125.263 1.602 . . . . 0.0 109.912 -172.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.286 0.0 OUTLIER -111.36 167.99 9.87 Favored 'General case' 0 CA--C 1.499 -0.991 0 N-CA-C 106.118 -1.808 . . . . 0.0 106.118 166.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -133.84 144.06 48.72 Favored 'General case' 0 CA--C 1.503 -0.846 0 CA-C-O 116.818 -1.563 . . . . 0.0 112.018 162.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -155.9 169.32 33.56 Favored Glycine 0 C--N 1.357 1.73 0 C-N-CA 119.511 -1.328 . . . . 0.0 115.951 -178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 62.3 p -101.73 166.22 10.79 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.914 1.597 . . . . 0.0 109.54 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.665 ' CE3' HD23 ' A' ' 89' ' ' LEU . 1.9 m95 -145.33 144.35 30.67 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.411 -1.757 . . . . 0.0 110.349 168.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 19.4 t -156.68 146.23 20.69 Favored 'General case' 0 C--N 1.363 1.196 0 O-C-N 125.719 1.887 . . . . 0.0 115.811 164.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.565 ' HA ' HD12 ' A' ' 89' ' ' LEU . 3.1 tm? -80.51 143.74 33.06 Favored 'General case' 0 CA--C 1.498 -1.038 0 CA-C-N 114.387 -1.279 . . . . 0.0 109.765 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.6 pt-20 -153.85 171.09 19.49 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.476 1.11 . . . . 0.0 110.108 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -56.38 -44.37 89.84 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 108.624 -1.79 . . . . 0.0 108.624 176.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 31.2 m-80 -80.87 25.51 0.45 Allowed 'General case' 0 C--N 1.354 0.767 0 CA-C-O 117.035 -1.459 . . . . 0.0 114.606 176.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . 0.257 33.7 mtmm 63.51 160.41 0.09 Allowed 'General case' 0 C--N 1.359 1.019 0 CA-C-N 121.516 1.962 . . . . 0.0 113.718 168.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.665 HD23 ' CE3' ' A' ' 82' ' ' TRP . 2.3 tp -58.87 136.91 57.98 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 115.828 -2.034 . . . . 0.0 110.804 -139.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.416 HG23 ' O ' ' A' ' 90' ' ' ILE . 14.3 tt -108.45 121.23 61.18 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 O-C-N 125.558 1.786 . . . . 0.0 110.203 173.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.56 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -131.57 158.86 22.98 Favored Glycine 0 C--N 1.357 1.735 0 C-N-CA 119.092 -1.528 . . . . 0.0 111.567 175.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.6 tmtt? -152.38 101.64 2.69 Favored 'General case' 0 CA--C 1.507 -0.69 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 -157.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -97.39 177.22 5.61 Favored 'General case' 0 CA--C 1.497 -1.082 0 CA-C-O 116.952 -1.499 . . . . 0.0 113.089 -176.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.07 141.68 3.93 Favored 'General case' 0 CA--C 1.503 -0.857 0 O-C-N 125.166 1.541 . . . . 0.0 108.358 171.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.11 137.87 57.94 Favored 'General case' 0 CA--C 1.505 -0.75 0 N-CA-C 106.25 -1.759 . . . . 0.0 106.25 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 12.8 t -82.38 -1.44 49.9 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-O 117.312 -1.327 . . . . 0.0 109.732 165.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -125.48 43.92 2.94 Favored 'General case' 0 C--N 1.36 1.031 0 CA-C-N 120.13 1.332 . . . . 0.0 111.382 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 177.53 -40.09 0.01 OUTLIER 'General case' 0 C--N 1.359 1.004 0 N-CA-C 115.949 1.833 . . . . 0.0 115.949 -172.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 85.44 30.15 25.45 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-N 119.898 1.226 . . . . 0.0 110.872 -168.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.452 ' HB3' ' CE1' ' A' ' 119' ' ' TYR . 1.5 m-80 -105.12 76.61 1.25 Allowed 'General case' 0 CA--C 1.485 -1.534 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -15.11 154.15 0.0 OUTLIER 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 126.973 2.671 . . . . 0.0 113.991 150.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.528 HD23 ' N ' ' A' ' 103' ' ' ASN . 7.9 tt -150.9 159.63 44.43 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 105.097 -2.186 . . . . 0.0 105.097 160.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.543 ' HB2' HG13 ' A' ' 118' ' ' VAL . 9.9 m-80 -129.94 84.39 2.21 Favored 'General case' 0 CA--C 1.493 -1.214 0 N-CA-C 105.233 -2.136 . . . . 0.0 105.233 -172.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.452 HG22 ' CE1' ' A' ' 117' ' ' TYR . 28.2 p -76.39 163.38 27.03 Favored 'General case' 0 CA--C 1.509 -0.604 0 C-N-CA 118.338 -1.345 . . . . 0.0 109.169 178.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.436 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -143.84 146.2 21.2 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.607 0 CA-C-O 115.421 -2.228 . . . . 0.0 107.432 167.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.416 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 56.2 mtp85 -135.9 132.89 37.08 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 102.192 -3.262 . . . . 0.0 102.192 178.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -168.4 140.61 2.87 Favored 'General case' 0 CA--C 1.486 -1.513 0 C-N-CA 115.924 -2.311 . . . . 0.0 109.289 -172.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.44 HD12 ' O ' ' A' ' 112' ' ' GLU . 3.9 tp -75.31 126.15 35.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 C-N-CA 117.236 -1.786 . . . . 0.0 107.335 177.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 11.3 tt -101.46 108.02 22.66 Favored 'Isoleucine or valine' 0 C--N 1.353 0.722 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 158.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.62 -110.98 3.5 Favored Glycine 0 C--N 1.354 1.545 0 CA-C-N 120.067 1.303 . . . . 0.0 112.367 175.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -111.67 21.48 16.05 Favored 'General case' 0 C--N 1.356 0.866 0 CA-C-N 118.483 1.141 . . . . 0.0 110.623 175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 108' ' ' ILE . 1.2 mp0 -122.91 152.04 41.18 Favored 'General case' 0 CA--C 1.491 -1.305 0 CA-C-O 117.746 -1.121 . . . . 0.0 108.617 175.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.485 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 6.4 tt -101.78 108.85 20.47 Favored 'General case' 0 CA--C 1.494 -1.209 0 N-CA-C 100.926 -3.731 . . . . 0.0 100.926 175.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 115' ' ' GLN . 0.9 OUTLIER -82.73 165.11 2.62 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.64 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 173.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.436 ' HG3' ' O ' ' A' ' 105' ' ' VAL 0.269 18.2 tt0 -146.06 147.92 32.11 Favored 'General case' 0 CA--C 1.501 -0.927 0 CA-C-O 113.705 -3.045 . . . . 0.0 109.242 169.096 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 2.8 p -131.17 137.33 48.94 Favored 'General case' 0 CA--C 1.504 -0.817 0 CA-C-N 122.471 2.396 . . . . 0.0 106.796 179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.452 ' CE1' HG22 ' A' ' 104' ' ' THR . 0.8 OUTLIER -136.73 116.2 12.8 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 102.228 -3.249 . . . . 0.0 102.228 -162.128 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.543 HG13 ' HB2' ' A' ' 103' ' ' ASN 0.428 6.4 p -136.94 124.37 31.63 Favored 'Isoleucine or valine' 0 C--N 1.355 0.811 0 C-N-CA 118.723 -1.191 . . . . 0.0 114.097 -174.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.452 ' CE1' ' HB3' ' A' ' 100' ' ' ASN . 74.1 t80 -108.78 167.11 10.3 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 -167.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . 0.332 6.3 pt-20 -57.99 -5.61 0.46 Allowed 'General case' 0 C--N 1.35 0.626 0 N-CA-C 116.008 1.855 . . . . 0.0 116.008 -177.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -99.17 -45.27 2.23 Favored Glycine 0 C--N 1.347 1.141 0 CA-C-N 120.06 1.3 . . . . 0.0 109.95 171.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -160.76 159.3 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.86 0 CA-C-O 117.519 -1.229 . . . . 0.0 112.397 -152.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.403 ' CD ' ' C ' ' A' ' 123' ' ' GLU . 0.8 OUTLIER -115.45 159.54 21.03 Favored 'General case' 0 C--N 1.362 1.111 0 O-C-N 125.368 1.667 . . . . 0.0 113.269 -174.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.409 ' HB1' ' O ' ' A' ' 12' ' ' GLU . . . -169.81 176.91 4.63 Favored 'General case' 0 CA--C 1.493 -1.226 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 177.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 16.5 ptmt -160.61 167.28 27.37 Favored 'General case' 0 CA--C 1.483 -1.6 0 C-N-CA 117.121 -1.832 . . . . 0.0 110.907 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 19.1 mtp180 -133.03 162.45 31.68 Favored 'General case' 0 CA--C 1.493 -1.222 0 O-C-N 125.355 1.659 . . . . 0.0 111.03 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.7 mp -122.92 128.23 75.1 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.979 0 N-CA-C 105.114 -2.18 . . . . 0.0 105.114 174.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.577 ' CE2' HD12 ' A' ' 38' ' ' LEU 0.268 26.9 m-85 -112.37 162.09 15.94 Favored 'General case' 0 CA--C 1.479 -1.761 0 N-CA-C 105.681 -1.97 . . . . 0.0 105.681 174.507 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.57 157.04 46.47 Favored 'General case' 0 CA--C 1.494 -1.204 0 O-C-N 126.532 2.395 . . . . 0.0 112.449 -175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -63.79 81.06 0.03 OUTLIER 'General case' 0 CA--C 1.502 -0.869 0 O-C-N 127.029 2.705 . . . . 0.0 112.881 -169.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.658 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.3 OUTLIER . . . . . 0 CA--C 1.502 -0.89 0 CA-C-N 115.073 -0.967 . . . . 0.0 113.267 150.027 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 1.224 ' N ' ' OE1' ' A' ' 42' ' ' GLN . . . . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -143.89 51.09 1.33 Allowed 'General case' 0 C--N 1.354 0.773 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -49.08 137.56 13.16 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.663 -176.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.503 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 58.0 m -176.97 118.07 0.11 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-O 117.346 -1.312 . . . . 0.0 108.716 -173.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 64.8 m -71.06 108.02 4.4 Favored 'General case' 0 CA--C 1.506 -0.735 0 N-CA-C 101.882 -3.377 . . . . 0.0 101.882 167.449 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.503 ' CE2' ' HB2' ' A' ' 4' ' ' SER . 84.7 m95 -90.43 174.56 7.49 Favored 'General case' 0 CA--C 1.5 -0.962 0 CA-C-O 117.463 -1.256 . . . . 0.0 109.715 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.12 145.78 25.69 Favored 'General case' 0 CA--C 1.505 -0.754 0 CA-C-O 116.349 -1.786 . . . . 0.0 111.216 171.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.467 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 7.6 p -52.13 141.68 5.58 Favored 'Isoleucine or valine' 0 C--N 1.359 0.997 0 CA-C-N 120.884 1.674 . . . . 0.0 110.694 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -118.56 -65.55 1.16 Allowed 'General case' 0 N--CA 1.449 -0.493 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 168.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 6.7 mmm-85 -141.09 174.17 10.78 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 119.791 1.178 . . . . 0.0 111.985 -165.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.716 ' OG ' ' NE ' ' A' ' 126' ' ' ARG . 0.6 OUTLIER -169.49 178.92 4.02 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-N 119.331 0.969 . . . . 0.0 113.273 -175.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -133.88 149.78 51.34 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 125.36 1.662 . . . . 0.0 110.249 165.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 43.2 34.11 0.65 Allowed 'General case' 0 C--N 1.354 0.764 0 O-C-N 123.797 0.685 . . . . 0.0 112.104 164.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -97.17 -36.16 10.55 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 119.031 -0.509 . . . . 0.0 112.059 -171.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -76.94 -36.66 56.39 Favored 'General case' 0 C--N 1.352 0.68 0 N-CA-C 105.377 -2.083 . . . . 0.0 105.377 176.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -53.86 -51.2 64.38 Favored 'General case' 0 C--N 1.353 0.744 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 170.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.415 ' CE1' ' HB2' ' A' ' 119' ' ' TYR . 1.6 t80 -57.09 -46.77 82.29 Favored 'General case' 0 CA--C 1.513 -0.468 0 C-N-CA 119.68 -0.808 . . . . 0.0 110.274 -178.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 19' ' ' GLU . 35.9 mmt -54.0 -55.19 29.54 Favored 'General case' 0 CA--C 1.507 -0.708 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 175.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 18' ' ' MET . 39.5 tt0 -43.72 -43.51 6.03 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 120.718 1.599 . . . . 0.0 110.387 178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.0 -6.98 58.56 Favored 'General case' 0 CA--C 1.505 -0.762 0 N-CA-C 118.237 2.68 . . . . 0.0 118.237 -176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.412 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 63.8 mmm -65.91 -15.55 63.06 Favored 'General case' 0 CA--C 1.505 -0.753 0 C-N-CA 119.11 -1.036 . . . . 0.0 108.967 161.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.419 ' C ' ' O ' ' A' ' 23' ' ' VAL . . . 59.1 56.84 23.01 Favored Glycine 0 CA--C 1.489 -1.547 0 N-CA-C 103.709 -3.757 . . . . 0.0 103.709 -161.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.569 HG13 ' N ' ' A' ' 24' ' ' ASN 0.428 1.2 p -78.02 -149.99 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.876 2 N-CA-C 98.037 -4.801 . . . . 0.0 98.037 162.176 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.569 ' N ' HG13 ' A' ' 23' ' ' VAL . 7.1 t-20 -144.9 163.65 33.47 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 120.125 -1.609 . . . . 0.0 113.109 162.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 5.8 mm -43.78 -50.07 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 CA-C-N 118.636 0.653 . . . . 0.0 111.761 -171.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.9 m -80.92 -13.96 12.74 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.609 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.329 -168.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.41 34.22 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 105.278 -2.119 . . . . 0.0 105.278 160.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.1 mtp180 -56.48 -39.24 72.9 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 116.927 -1.511 . . . . 0.0 112.538 -174.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -23.22 66.07 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 117.189 -1.804 . . . . 0.0 109.471 -177.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' ' HB1' ' A' ' 54' ' ' ALA . 16.7 tp -83.8 -44.2 14.61 Favored 'General case' 0 C--N 1.353 0.728 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.94 -50.43 10.53 Favored 'General case' 0 CA--C 1.503 -0.83 0 CA-C-N 120.925 1.693 . . . . 0.0 110.609 172.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.58 -35.67 42.25 Favored 'General case' 0 C--N 1.347 0.469 0 C-N-CA 120.507 -0.477 . . . . 0.0 110.375 -179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.1 m80 -67.82 -37.94 82.59 Favored 'General case' 0 C--N 1.354 0.781 0 CA-C-O 116.993 -1.48 . . . . 0.0 112.839 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.1 14.24 3.89 Favored 'General case' 0 C--N 1.355 0.827 0 CA-C-N 120.668 1.576 . . . . 0.0 115.221 -173.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.288 7.6 m-80 -1.86 -67.02 0.0 OUTLIER 'General case' 0 C--N 1.345 0.378 0 N-CA-C 120.579 3.548 . . . . 0.0 120.579 -160.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' HB ' ' A' ' 8' ' ' VAL . 15.8 tp -172.93 98.82 0.13 Allowed 'General case' 0 C--N 1.358 0.939 0 CA-C-N 122.781 2.537 . . . . 0.0 111.536 -165.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -120.63 161.74 20.85 Favored 'General case' 0 CA--C 1.464 -2.348 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.438 HD23 ' N ' ' A' ' 39' ' ' THR 0.453 6.8 tt -158.22 169.99 23.28 Favored 'General case' 0 N--CA 1.428 -1.568 0 C-N-CA 114.769 -2.772 . . . . 0.0 109.898 -162.173 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 ' N ' HD23 ' A' ' 38' ' ' LEU . 53.1 m -137.7 139.65 40.29 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 107.548 -1.278 . . . . 0.0 107.548 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -113.55 139.13 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.744 0 N-CA-C 104.156 -2.535 . . . . 0.0 104.156 162.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 43.2 m -150.89 83.74 1.34 Allowed 'General case' 0 CA--C 1.498 -1.057 0 N-CA-C 103.062 -2.94 . . . . 0.0 103.062 -178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 1.224 ' OE1' ' N ' ' A' ' 1' ' ' ALA . 34.1 mt-30 -80.27 162.87 24.37 Favored 'General case' 0 CA--C 1.503 -0.837 0 C-N-CA 117.932 -1.507 . . . . 0.0 107.697 -176.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.413 ' O ' ' N ' ' A' ' 45' ' ' ASN . 12.8 pt-20 -150.63 -158.83 0.95 Allowed 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 115.432 -2.223 . . . . 0.0 105.673 174.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -43.34 93.63 0.01 OUTLIER Glycine 0 C--N 1.352 1.469 0 CA-C-N 122.474 2.397 . . . . 0.0 112.89 -176.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.461 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 3.4 t30 49.43 30.05 3.16 Favored 'General case' 0 C--N 1.361 1.071 0 CA-C-N 119.186 1.493 . . . . 0.0 112.248 177.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -128.88 156.11 44.2 Favored 'General case' 0 CA--C 1.501 -0.941 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -177.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.436 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 8.2 m-85 -130.77 86.8 2.41 Favored 'General case' 0 N--CA 1.44 -0.952 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 -173.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 78.5 m -78.47 120.68 23.53 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 104.171 -2.529 . . . . 0.0 104.171 177.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 m -115.95 153.99 17.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 CA-C-N 119.446 1.021 . . . . 0.0 109.0 177.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -132.57 142.79 49.32 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 115.517 -2.182 . . . . 0.0 105.631 172.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -125.08 157.08 37.17 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 106.12 -1.807 . . . . 0.0 106.12 -178.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.1 t -142.67 67.73 1.31 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -172.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 t -77.96 149.02 34.2 Favored 'General case' 0 CA--C 1.503 -0.855 0 N-CA-C 103.752 -2.685 . . . . 0.0 103.752 176.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.463 ' HB1' ' HG ' ' A' ' 30' ' ' LEU . . . -48.85 -30.39 5.73 Favored 'General case' 0 C--O 1.22 -0.466 0 C-N-CA 119.484 -0.886 . . . . 0.0 110.924 174.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -61.26 -57.54 11.96 Favored 'General case' 0 C--N 1.352 0.682 0 CA-C-O 118.447 -0.787 . . . . 0.0 109.121 -176.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -172.34 150.84 2.42 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-O 117.302 -1.332 . . . . 0.0 108.256 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -66.69 138.95 57.79 Favored 'General case' 0 C--N 1.352 0.704 0 CA-C-O 116.18 -1.866 . . . . 0.0 110.072 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -117.76 94.23 2.98 Favored 'Isoleucine or valine' 0 C--N 1.361 1.073 0 CA-C-N 120.356 1.435 . . . . 0.0 107.841 -179.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -70.88 121.45 18.11 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.26 -1.755 . . . . 0.0 106.26 174.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.5 t -138.85 152.95 24.74 Favored 'Isoleucine or valine' 0 C--N 1.358 0.941 0 CA-C-N 120.206 1.367 . . . . 0.0 108.408 176.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.0 p -144.27 152.69 15.48 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.334 0 CA-C-N 119.624 1.102 . . . . 0.0 110.654 178.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 44.2 p90 -152.1 159.33 43.68 Favored 'General case' 0 N--CA 1.437 -1.097 0 O-C-N 125.114 1.509 . . . . 0.0 110.094 178.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 -127.15 76.44 1.66 Allowed 'General case' 0 C--N 1.352 0.682 0 O-C-N 124.293 0.995 . . . . 0.0 108.509 -175.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 6.8 tp 62.93 91.56 0.07 Allowed 'General case' 0 C--N 1.354 0.785 0 O-C-N 123.376 0.423 . . . . 0.0 109.998 168.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.68 59.51 3.47 Favored Glycine 0 C--N 1.354 1.563 0 N-CA-C 108.513 -1.835 . . . . 0.0 108.513 170.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.1 t -140.47 154.56 22.44 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 119.924 -0.711 . . . . 0.0 111.125 -171.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 5.4 m -67.68 158.2 32.81 Favored 'General case' 0 C--N 1.361 1.105 0 O-C-N 125.082 1.489 . . . . 0.0 111.556 -176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.254 11.2 t80 -129.38 156.83 43.42 Favored 'General case' 0 CA--C 1.508 -0.646 0 CA-C-O 116.866 -1.54 . . . . 0.0 108.275 -175.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -160.34 119.08 2.66 Favored 'General case' 0 CA--C 1.5 -0.95 0 CA-C-O 116.724 -1.608 . . . . 0.0 112.709 -175.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 11.8 p90 -156.62 163.12 39.7 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 117.358 -1.737 . . . . 0.0 113.635 169.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -116.04 146.99 41.72 Favored 'General case' 0 C--N 1.361 1.081 0 O-C-N 124.883 1.364 . . . . 0.0 110.745 176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 tp -95.2 177.81 5.74 Favored 'General case' 0 C--N 1.357 0.932 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 -171.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.82 -27.44 50.02 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 118.419 -0.8 . . . . 0.0 111.416 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.56 -41.12 76.35 Favored 'General case' 0 CA--C 1.503 -0.832 0 N-CA-C 104.164 -2.532 . . . . 0.0 104.164 176.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 111.52 72.41 0.65 Allowed Glycine 0 C--N 1.354 1.565 0 N-CA-C 103.532 -3.827 . . . . 0.0 103.532 -174.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . 0.27 87.7 m -145.26 169.21 18.68 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 -167.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -142.86 128.27 18.91 Favored 'General case' 0 CA--C 1.51 -0.563 0 CA-C-O 116.373 -1.775 . . . . 0.0 109.591 175.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . 0.392 0.0 OUTLIER -130.79 150.15 52.1 Favored 'General case' 0 C--N 1.359 0.979 0 CA-C-N 120.517 1.508 . . . . 0.0 108.782 158.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -105.81 -165.21 1.08 Allowed 'General case' 0 CA--C 1.497 -1.069 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 174.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 170.06 -159.8 32.46 Favored Glycine 0 C--N 1.349 1.286 0 C-N-CA 118.897 -1.621 . . . . 0.0 112.788 175.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 55.7 p -154.16 152.27 30.2 Favored 'General case' 0 CA--C 1.503 -0.858 0 CA-C-O 116.54 -1.695 . . . . 0.0 107.891 176.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.724 ' CH2' ' CG2' ' A' ' 104' ' ' THR . 24.3 m95 -123.51 154.7 38.8 Favored 'General case' 0 C--N 1.353 0.75 0 CA-C-O 117.967 -1.016 . . . . 0.0 109.116 162.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.0 t -150.5 125.35 9.8 Favored 'General case' 0 CA--C 1.492 -1.254 0 CA-C-O 116.746 -1.597 . . . . 0.0 108.192 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD12 ' CD1' ' A' ' 89' ' ' LEU 0.304 5.9 tt -89.63 120.8 31.23 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 104.747 -2.316 . . . . 0.0 104.747 -177.221 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -156.94 150.18 24.06 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-O 116.692 -1.623 . . . . 0.0 109.587 -170.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 48.48 45.64 29.35 Favored Glycine 0 C--N 1.352 1.459 0 CA-C-N 121.294 1.861 . . . . 0.0 111.619 -179.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.1 p30 50.16 33.16 6.75 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -164.15 133.45 3.85 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-O 117.345 -1.312 . . . . 0.0 109.654 175.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.542 ' HB3' ' CE3' ' A' ' 82' ' ' TRP . 10.2 mp -70.55 145.61 50.69 Favored 'General case' 0 CA--C 1.49 -1.341 0 CA-C-N 121.855 2.116 . . . . 0.0 112.901 171.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.84 126.83 69.21 Favored 'Isoleucine or valine' 0 C--N 1.355 0.817 0 O-C-N 127.803 3.189 . . . . 0.0 104.38 175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.52 173.86 20.65 Favored Glycine 0 C--N 1.357 1.708 0 C-N-CA 119.293 -1.432 . . . . 0.0 111.45 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' C ' ' CD1' ' A' ' 93' ' ' PHE . 0.0 OUTLIER -155.39 153.17 30.01 Favored 'General case' 0 CA--C 1.499 -0.985 0 CA-C-O 117.946 -1.026 . . . . 0.0 108.403 172.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.519 ' CD1' ' C ' ' A' ' 92' ' ' LYS . 0.8 OUTLIER -135.83 160.79 37.48 Favored 'General case' 0 CA--C 1.511 -0.552 0 N-CA-C 106.829 -1.545 . . . . 0.0 106.829 -177.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -151.07 131.29 13.58 Favored 'General case' 0 C--N 1.355 0.844 0 CA-C-N 120.713 1.597 . . . . 0.0 110.381 -177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.413 ' NE ' ' OD1' ' A' ' 98' ' ' ASN . 51.9 ttt180 -100.92 142.55 32.23 Favored 'General case' 0 C--N 1.356 0.883 0 O-C-N 124.239 0.962 . . . . 0.0 109.691 -168.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.6 t -122.32 19.86 10.55 Favored 'General case' 0 C--N 1.355 0.82 0 O-C-N 123.977 0.798 . . . . 0.0 113.07 -168.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -113.41 37.68 3.13 Favored 'General case' 0 C--N 1.351 0.641 0 N-CA-C 105.048 -2.204 . . . . 0.0 105.048 160.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.413 ' OD1' ' NE ' ' A' ' 95' ' ' ARG . 13.9 m120 -169.67 -56.76 0.02 OUTLIER 'General case' 0 C--N 1.356 0.886 0 O-C-N 124.08 0.863 . . . . 0.0 112.25 -160.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 81.32 58.56 2.56 Favored Glycine 0 C--N 1.356 1.669 0 N-CA-C 108.623 -1.791 . . . . 0.0 108.623 -175.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -157.71 161.88 38.56 Favored 'General case' 0 C--N 1.356 0.856 0 CA-C-N 118.132 0.966 . . . . 0.0 110.451 176.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -95.5 154.67 17.09 Favored 'General case' 0 CA--C 1.504 -0.795 0 N-CA-C 116.877 2.177 . . . . 0.0 116.877 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 118' ' ' VAL . 2.5 tp -122.98 103.5 8.64 Favored 'General case' 0 C--N 1.35 0.609 0 N-CA-C 102.258 -3.238 . . . . 0.0 102.258 169.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -85.78 156.53 20.56 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 120.985 1.72 . . . . 0.0 108.799 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.724 ' CG2' ' CH2' ' A' ' 82' ' ' TRP 0.258 0.9 OUTLIER -140.11 156.99 46.32 Favored 'General case' 0 C--N 1.35 0.61 0 CA-C-O 116.522 -1.704 . . . . 0.0 111.35 -165.223 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 89' ' ' LEU . 7.1 p -154.81 147.82 13.08 Favored 'Isoleucine or valine' 0 C--N 1.364 1.23 0 CA-C-O 114.692 -2.575 . . . . 0.0 110.885 158.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.461 ' CG ' ' CH2' ' A' ' 82' ' ' TRP 0.369 0.0 OUTLIER -150.72 142.58 23.83 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 122.037 2.198 . . . . 0.0 108.873 177.236 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' O ' ' C ' ' A' ' 108' ' ' ILE . 13.2 tt0 -174.49 94.19 0.08 Allowed 'General case' 0 CA--C 1.481 -1.687 0 C-N-CA 113.331 -3.347 . . . . 0.0 102.378 -144.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 107' ' ' GLU . 9.6 tp -46.67 131.8 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.18 0 CA-C-N 113.093 -1.867 . . . . 0.0 106.8 -178.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 12.2 tt -111.54 103.32 15.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.536 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 168.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.0 -108.63 2.47 Favored Glycine 0 C--N 1.354 1.554 0 C-N-CA 119.992 -1.099 . . . . 0.0 111.307 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -126.31 38.34 4.15 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 175.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -147.16 134.12 20.27 Favored 'General case' 0 CA--C 1.492 -1.271 0 N-CA-C 103.927 -2.62 . . . . 0.0 103.927 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.4 tt -92.59 130.24 38.29 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 103.389 -2.819 . . . . 0.0 103.389 -172.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -97.04 159.12 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.736 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 170.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -154.64 159.97 41.13 Favored 'General case' 0 CA--C 1.5 -0.947 0 O-C-N 124.377 1.048 . . . . 0.0 110.438 157.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . 0.268 0.7 OUTLIER -136.27 113.17 10.33 Favored 'General case' 0 CA--C 1.51 -0.585 0 N-CA-C 104.1 -2.555 . . . . 0.0 104.1 -170.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.406 ' CD1' HD11 ' A' ' 102' ' ' LEU . 25.4 m-85 -103.37 153.64 20.24 Favored 'General case' 0 C--N 1.359 0.984 0 N-CA-C 105.258 -2.127 . . . . 0.0 105.258 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.419 ' O ' HD12 ' A' ' 102' ' ' LEU . 3.5 t -142.74 146.42 21.98 Favored 'Isoleucine or valine' 0 C--N 1.351 0.657 0 CA-C-O 116.297 -1.811 . . . . 0.0 107.484 -174.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 121' ' ' GLY . 24.7 t80 -143.71 121.87 12.2 Favored 'General case' 0 C--N 1.357 0.915 0 CA-C-N 121.546 1.976 . . . . 0.0 113.955 -177.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 37.63 18.34 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 143.83 -70.85 0.39 Allowed Glycine 0 C--N 1.347 1.181 0 C-N-CA 116.736 -2.649 . . . . 0.0 118.416 -158.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 1.4 p -67.25 155.64 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.854 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 -161.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -113.44 121.13 43.39 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.6 167.92 11.18 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 106.228 -1.768 . . . . 0.0 106.228 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -161.06 152.92 19.65 Favored 'General case' 0 CA--C 1.463 -2.378 0 CA-C-O 114.725 -2.56 . . . . 0.0 110.682 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.716 ' NE ' ' OG ' ' A' ' 11' ' ' SER 0.423 4.1 tpm_? -143.0 136.46 28.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 O-C-N 127.271 2.857 . . . . 0.0 106.813 -172.708 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 9.0 mm -113.09 144.13 21.36 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.089 0 N-CA-C 104.099 -2.556 . . . . 0.0 104.099 -169.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.308 34.9 m-85 -139.21 138.2 36.66 Favored 'General case' 0 CA--C 1.501 -0.93 0 CA-C-O 115.611 -2.138 . . . . 0.0 111.565 -166.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.303 23.6 mmtp -123.01 159.19 28.9 Favored 'General case' 0 C--N 1.353 0.742 0 N-CA-C 106.595 -1.631 . . . . 0.0 106.595 177.416 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.0 160.72 0.03 OUTLIER 'General case' 0 CA--C 1.508 -0.645 0 O-C-N 124.092 0.87 . . . . 0.0 113.286 170.042 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.7 t70 . . . . . 0 CA--C 1.506 -0.738 0 O-C-N 124.142 0.901 . . . . 0.0 109.682 -171.773 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.075 0 CA-C-O 119.072 -0.489 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 58.3 171.07 0.06 Allowed 'General case' 0 C--N 1.353 0.743 0 O-C-N 123.943 0.777 . . . . 0.0 111.988 -176.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 58.82 114.38 0.01 OUTLIER 'General case' 0 C--N 1.356 0.88 0 C-N-CA 123.168 0.587 . . . . 0.0 110.981 -172.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . 0.253 6.9 m -177.95 164.13 1.85 Allowed 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.611 -166.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 1.028 HG22 ' OXT' ' A' ' 131' ' ' ASP . 37.4 m -86.85 142.22 28.22 Favored 'General case' 0 CA--C 1.496 -1.125 0 N-CA-C 101.31 -3.589 . . . . 0.0 101.31 150.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.445 ' CD1' HD13 ' A' ' 113' ' ' LEU . 61.1 m95 -116.65 162.03 18.28 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 121.618 2.008 . . . . 0.0 109.584 161.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.258 6.2 tmtt? -146.58 127.02 14.05 Favored 'General case' 0 N--CA 1.448 -0.545 0 N-CA-C 106.344 -1.725 . . . . 0.0 106.344 -178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.56 137.32 23.12 Favored 'Isoleucine or valine' 0 C--N 1.36 1.053 0 CA-C-N 120.789 1.632 . . . . 0.0 108.7 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -110.07 -39.23 5.09 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-O 117.688 -1.149 . . . . 0.0 109.788 173.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 -165.99 165.22 18.15 Favored 'General case' 0 C--N 1.356 0.868 0 CA-C-N 120.763 1.619 . . . . 0.0 109.657 -170.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.3 m -165.73 163.11 19.0 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 117.385 -1.293 . . . . 0.0 113.19 -169.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -86.53 170.44 11.9 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 119.471 1.032 . . . . 0.0 108.956 170.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 m-20 27.79 42.56 0.0 OUTLIER 'General case' 0 CA--C 1.504 -0.823 0 N-CA-C 115.169 1.544 . . . . 0.0 115.169 167.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.51 -31.93 67.64 Favored 'General case' 0 C--N 1.351 0.645 0 CA-C-N 120.582 1.537 . . . . 0.0 110.798 -176.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -80.53 -50.81 9.53 Favored 'General case' 0 C--N 1.352 0.717 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 -178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.7 tptt -53.75 -55.48 25.93 Favored 'General case' 0 CA--C 1.504 -0.823 0 O-C-N 123.794 0.684 . . . . 0.0 109.723 178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 124' ' ' ALA . 75.2 t80 -57.6 -49.68 75.63 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.837 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 20.1 mmt -62.04 -49.77 74.67 Favored 'General case' 0 CA--C 1.503 -0.86 0 C-N-CA 119.458 -0.897 . . . . 0.0 108.615 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -48.01 -40.91 24.06 Favored 'General case' 0 CA--C 1.511 -0.544 0 C-N-CA 119.559 -0.856 . . . . 0.0 109.102 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -36.76 74.87 Favored 'General case' 0 CA--C 1.504 -0.794 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.433 ' SD ' ' CD2' ' A' ' 119' ' ' TYR . 33.2 mmt -81.73 15.5 2.15 Favored 'General case' 0 CA--C 1.49 -1.357 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.15 24.48 75.54 Favored Glycine 0 CA--C 1.477 -2.29 0 C-N-CA 117.982 -2.056 . . . . 0.0 111.855 178.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.307 61.1 t -84.46 92.41 3.13 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.527 1 N-CA-C 97.689 -4.93 . . . . 0.0 97.689 -168.588 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -67.91 161.51 26.27 Favored 'General case' 0 N--CA 1.44 -0.967 0 CA-C-N 112.219 -2.264 . . . . 0.0 107.25 -160.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.2 tp -36.47 -44.43 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.82 0 N-CA-C 113.418 0.896 . . . . 0.0 113.418 -164.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -81.59 -41.95 19.08 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.568 0 CA-C-N 119.861 1.21 . . . . 0.0 109.852 -179.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -44.42 -45.88 9.24 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-O 121.952 0.882 . . . . 0.0 109.893 170.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.9 tpt85 -63.36 -45.96 88.76 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 117.725 -1.131 . . . . 0.0 112.01 171.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.7 mmmt -61.75 -44.49 96.8 Favored 'General case' 0 C--N 1.356 0.852 0 CA-C-N 120.626 1.557 . . . . 0.0 108.824 -175.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.1 mp -58.16 -46.65 85.33 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 106.455 -1.683 . . . . 0.0 106.455 173.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.69 -52.33 18.67 Favored 'General case' 0 CA--C 1.505 -0.78 0 O-C-N 123.598 0.561 . . . . 0.0 111.038 -174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 -34.16 48.05 Favored 'General case' 0 C--N 1.35 0.595 0 O-C-N 124.451 1.095 . . . . 0.0 111.411 -176.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 5.3 m80 -62.19 -52.92 61.85 Favored 'General case' 0 CA--C 1.507 -0.68 0 CA-C-N 118.326 0.512 . . . . 0.0 110.13 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . 0.252 3.6 t70 -78.61 -42.91 27.67 Favored 'General case' 0 CA--C 1.501 -0.918 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.242 -176.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.286 13.9 m120 69.24 -137.58 0.08 Allowed 'General case' 0 C--N 1.351 0.649 0 O-C-N 125.469 1.731 . . . . 0.0 113.27 -162.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.6 mp -157.76 148.41 20.93 Favored 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 -139.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -175.07 176.44 2.11 Favored 'General case' 0 CA--C 1.481 -1.677 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 137.95 0.66 Allowed 'General case' 0 CA--C 1.496 -1.134 0 C-N-CA 117.765 -1.574 . . . . 0.0 107.187 -172.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.1 m -106.95 130.13 54.65 Favored 'General case' 0 CA--C 1.488 -1.404 0 N-CA-C 102.527 -3.138 . . . . 0.0 102.527 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -105.77 143.99 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 169.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 55.7 m -153.78 109.32 3.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 104.4 -2.444 . . . . 0.0 104.4 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -81.01 163.07 23.53 Favored 'General case' 0 CA--C 1.509 -0.627 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.061 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -168.18 128.15 1.28 Allowed 'General case' 0 C--O 1.216 -0.707 0 CA-C-O 115.789 -2.053 . . . . 0.0 110.277 174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 41.95 62.03 2.13 Favored Glycine 0 C--N 1.354 1.551 0 CA-C-N 122.544 2.429 . . . . 0.0 113.825 175.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.9 t30 48.85 30.9 2.88 Favored 'General case' 0 C--N 1.355 0.829 0 CA-C-N 118.627 1.213 . . . . 0.0 112.023 -177.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.4 tppt? -119.04 161.29 20.5 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 105.188 -2.153 . . . . 0.0 105.188 178.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.509 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.253 6.7 m-85 -128.58 92.72 3.47 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 102.227 -3.249 . . . . 0.0 102.227 175.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.0 t -90.44 140.99 29.19 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 103.09 -2.93 . . . . 0.0 103.09 179.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.452 HG11 ' CE2' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -156.01 156.97 4.28 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.896 0 C-N-CA 118.423 -1.311 . . . . 0.0 110.812 -167.422 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.2 mttp -122.69 147.35 46.56 Favored 'General case' 0 CA--C 1.492 -1.281 0 CA-C-O 114.963 -2.446 . . . . 0.0 105.552 175.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -141.62 138.07 32.3 Favored 'General case' 0 CA--C 1.485 -1.551 0 CA-C-N 121.257 1.844 . . . . 0.0 107.384 170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . 0.311 11.3 t -139.93 154.73 47.3 Favored 'General case' 0 CA--C 1.495 -1.149 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 -160.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -164.21 56.03 0.15 Allowed 'General case' 0 CA--C 1.496 -1.104 0 C-N-CA 118.381 -1.328 . . . . 0.0 109.928 -164.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 62.73 -55.72 0.16 Allowed 'General case' 0 C--N 1.35 0.594 0 N-CA-C 116.401 2.0 . . . . 0.0 116.401 -172.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.522 ' HB3' ' HB3' ' A' ' 73' ' ' ALA . 6.1 m-85 -54.87 -59.36 4.84 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.297 -174.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -175.75 148.21 0.86 Allowed 'General case' 0 C--N 1.355 0.821 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 177.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -59.9 148.51 34.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-N 120.388 1.449 . . . . 0.0 110.425 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.0 mt -116.97 108.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 CA-C-O 116.722 -1.608 . . . . 0.0 107.094 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -65.69 144.28 57.02 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-N 121.531 1.969 . . . . 0.0 105.889 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -147.47 159.37 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.765 0 N-CA-C 106.679 -1.6 . . . . 0.0 106.679 177.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.29 148.8 2.73 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.282 0 C-N-CA 118.183 -1.407 . . . . 0.0 111.981 177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.452 ' CE2' HG11 ' A' ' 49' ' ' VAL . 7.0 p90 -157.29 162.69 39.18 Favored 'General case' 0 N--CA 1.436 -1.146 0 O-C-N 125.214 1.571 . . . . 0.0 108.817 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' O ' ' CE1' ' A' ' 47' ' ' PHE . 31.6 tt0 -109.16 -71.34 0.77 Allowed 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 106.179 -1.785 . . . . 0.0 106.179 -177.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.83 61.74 0.16 Allowed 'General case' 0 C--N 1.348 0.541 0 N-CA-C 106.418 -1.697 . . . . 0.0 106.418 -176.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.51 66.89 0.73 Allowed Glycine 0 C--N 1.356 1.684 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 -169.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.5 t -131.89 148.26 32.33 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 CA-C-O 115.183 -2.342 . . . . 0.0 108.871 178.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.9 m -100.92 151.7 21.43 Favored 'General case' 0 C--N 1.365 1.268 0 O-C-N 126.486 2.366 . . . . 0.0 110.232 -178.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -167.47 171.62 10.28 Favored 'General case' 0 C--N 1.357 0.926 0 CA-C-O 117.403 -1.284 . . . . 0.0 112.341 -178.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -92.25 142.67 27.22 Favored 'General case' 0 C--N 1.359 1.001 0 CA-C-O 118.369 -0.824 . . . . 0.0 111.338 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -121.48 99.21 6.34 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 101.264 -3.606 . . . . 0.0 101.264 170.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -90.6 117.87 29.6 Favored 'General case' 0 C--N 1.355 0.823 0 N-CA-C 106.477 -1.675 . . . . 0.0 106.477 -179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.2 mt -70.2 169.95 12.61 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 172.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.522 ' HB3' ' HB3' ' A' ' 55' ' ' PHE . . . -81.6 -40.54 22.85 Favored 'General case' 0 CA--C 1.505 -0.751 0 CA-C-N 118.907 0.776 . . . . 0.0 113.028 -177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -57.75 -42.83 84.74 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.874 -1.528 . . . . 0.0 106.874 -165.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.21 67.79 0.01 OUTLIER Glycine 0 C--N 1.351 1.387 0 N-CA-C 106.945 -2.462 . . . . 0.0 106.945 168.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 19.0 m -157.57 162.94 38.8 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 105.588 -2.004 . . . . 0.0 105.588 -166.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -153.93 136.36 15.02 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 114.055 1.131 . . . . 0.0 114.055 -168.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.631 HD13 ' N ' ' A' ' 78' ' ' LEU 0.316 0.0 OUTLIER -136.64 152.16 50.11 Favored 'General case' 0 C--N 1.362 1.114 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 164.19 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 41.5 mtm180 -113.51 154.46 27.04 Favored 'General case' 0 CA--C 1.486 -1.51 0 CA-C-O 115.833 -2.032 . . . . 0.0 107.819 173.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.07 179.2 40.35 Favored Glycine 0 CA--C 1.491 -1.444 0 C-N-CA 118.079 -2.01 . . . . 0.0 114.503 176.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 82.0 p -114.43 163.33 15.48 Favored 'General case' 0 CA--C 1.494 -1.201 0 O-C-N 126.471 1.924 . . . . 0.0 110.125 -175.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.527 ' CE3' ' HB3' ' A' ' 89' ' ' LEU . 32.0 m95 -140.32 149.3 42.58 Favored 'General case' 0 N--CA 1.442 -0.854 0 O-C-N 125.002 1.439 . . . . 0.0 109.907 163.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.9 t -146.81 100.88 3.38 Favored 'General case' 0 CA--C 1.494 -1.206 0 N-CA-C 105.958 -1.868 . . . . 0.0 105.958 171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 89' ' ' LEU 0.262 9.6 tt -60.86 140.67 57.6 Favored 'General case' 0 N--CA 1.437 -1.096 0 N-CA-C 105.667 -1.975 . . . . 0.0 105.667 172.758 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -158.75 165.96 33.08 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-O 118.089 -0.957 . . . . 0.0 109.733 -171.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.9 -50.18 27.36 Favored Glycine 0 C--N 1.354 1.543 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 178.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -84.49 57.66 4.43 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.309 -1.805 . . . . 0.0 113.053 174.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 89' ' ' LEU . 45.3 mtpt 70.03 131.66 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.232 0 CA-C-N 120.908 1.685 . . . . 0.0 113.085 156.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.532 HD11 HD12 ' A' ' 84' ' ' LEU 0.315 9.9 mp -50.93 129.64 23.89 Favored 'General case' 0 CA--C 1.493 -1.233 0 C-N-CA 116.912 -1.915 . . . . 0.0 108.394 -170.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.6 tt -99.4 122.15 50.86 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.166 0 O-C-N 128.521 3.638 . . . . 0.0 105.6 169.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.418 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -119.05 167.07 13.12 Favored Glycine 0 CA--C 1.489 -1.594 0 C-N-CA 118.953 -1.594 . . . . 0.0 109.181 170.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -157.61 122.8 4.49 Favored 'General case' 0 CA--C 1.503 -0.859 0 O-C-N 125.565 1.391 . . . . 0.0 107.459 -167.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.422 ' CD2' HD23 ' A' ' 78' ' ' LEU . 29.1 m-85 -130.6 177.86 7.06 Favored 'General case' 0 CA--C 1.494 -1.177 0 CA-C-O 117.747 -1.12 . . . . 0.0 112.212 -167.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.3 ptmm? -161.46 133.84 5.93 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 117.782 -1.567 . . . . 0.0 114.118 163.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 11.4 mmm180 -57.08 121.68 10.59 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 105.743 -1.947 . . . . 0.0 105.743 170.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -82.48 -2.05 52.19 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 115.99 -1.957 . . . . 0.0 107.463 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -87.13 -88.72 0.13 Allowed 'General case' 0 C--N 1.363 1.154 0 N-CA-C 105.033 -2.21 . . . . 0.0 105.033 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -21.88 -54.91 0.02 OUTLIER 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 117.014 2.227 . . . . 0.0 117.014 169.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 82.8 59.96 2.13 Favored Glycine 0 C--N 1.357 1.75 0 N-CA-C 107.519 -2.232 . . . . 0.0 107.519 -164.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -164.54 158.2 17.91 Favored 'General case' 0 CA--C 1.492 -1.258 0 N-CA-C 105.774 -1.936 . . . . 0.0 105.774 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.252 7.6 pt-20 -109.56 168.64 9.25 Favored 'General case' 0 CA--C 1.496 -1.098 0 O-C-N 125.653 1.846 . . . . 0.0 108.421 -162.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.652 HD13 ' CD1' ' A' ' 119' ' ' TYR . 4.4 tp -139.92 115.84 10.29 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 105.494 -2.039 . . . . 0.0 105.494 -173.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -88.51 140.35 29.55 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 71.4 p -142.1 153.8 44.42 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-O 118.109 -0.948 . . . . 0.0 112.302 -178.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.413 ' O ' ' HG3' ' A' ' 115' ' ' GLN . 10.3 t -135.46 149.01 28.23 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.268 0 CA-C-O 116.803 -1.57 . . . . 0.0 110.699 172.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 51.0 mtt180 -138.76 134.42 33.46 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 101.661 -3.459 . . . . 0.0 101.661 -177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -164.99 141.32 5.69 Favored 'General case' 0 CA--C 1.49 -1.356 0 C-N-CA 115.896 -2.322 . . . . 0.0 107.708 -169.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.472 HD12 ' O ' ' A' ' 112' ' ' GLU . 5.5 tp -78.71 124.47 37.13 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.797 0 N-CA-C 103.34 -2.837 . . . . 0.0 103.34 174.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' ' O ' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -101.8 108.34 23.5 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.582 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 163.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.77 -113.09 4.31 Favored Glycine 0 C--N 1.353 1.514 0 CA-C-N 120.174 1.352 . . . . 0.0 112.158 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -111.21 19.11 18.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 118.713 1.257 . . . . 0.0 111.247 173.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.472 ' O ' HD12 ' A' ' 108' ' ' ILE . 2.5 mp0 -121.68 158.8 27.9 Favored 'General case' 0 CA--C 1.49 -1.33 0 CA-C-O 117.259 -1.353 . . . . 0.0 107.591 173.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.445 HD13 ' CD1' ' A' ' 6' ' ' TRP . 3.6 tt -112.26 123.91 51.32 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.09 167.29 1.66 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.697 0 C-N-CA 119.42 -0.912 . . . . 0.0 108.94 177.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 105' ' ' VAL . 7.5 tt0 -148.53 146.67 28.41 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-O 115.874 -2.013 . . . . 0.0 108.991 166.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.48 101.69 5.06 Favored 'General case' 0 C--N 1.353 0.746 0 N-CA-C 105.813 -1.921 . . . . 0.0 105.813 -176.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 18.3 m-30 -95.86 159.84 14.78 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 119.872 1.215 . . . . 0.0 108.861 179.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 56.0 t -147.14 104.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.781 0 CA-C-O 116.832 -1.556 . . . . 0.0 109.253 -176.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.652 ' CD1' HD13 ' A' ' 102' ' ' LEU . 2.9 m-85 -113.17 105.74 13.81 Favored 'General case' 0 C--N 1.363 1.188 0 CA-C-N 120.108 1.322 . . . . 0.0 108.627 179.486 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 45.33 17.67 0.03 OUTLIER 'General case' 0 CA--C 1.5 -0.956 0 N-CA-C 118.877 2.917 . . . . 0.0 118.877 171.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 162.61 -56.98 0.29 Allowed Glycine 0 CA--C 1.479 -2.213 0 N-CA-C 107.901 -2.08 . . . . 0.0 107.901 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.4 t -80.23 117.12 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.326 0 CA-C-N 111.674 -2.263 . . . . 0.0 108.495 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -78.84 114.71 18.01 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 102.881 -3.007 . . . . 0.0 102.881 167.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' A' ' 17' ' ' PHE . . . -106.1 167.47 9.79 Favored 'General case' 0 CA--C 1.501 -0.932 0 N-CA-C 104.816 -2.29 . . . . 0.0 104.816 174.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -168.18 126.75 1.19 Allowed 'General case' 0 CA--C 1.498 -1.043 0 C-N-CA 118.892 -1.123 . . . . 0.0 110.051 -175.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.06 165.39 11.51 Favored 'General case' 0 CA--C 1.499 -1.017 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 7.6 mt -134.66 131.08 53.7 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.839 0 N-CA-C 104.208 -2.516 . . . . 0.0 104.208 168.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.275 36.5 m-85 -119.42 163.89 16.56 Favored 'General case' 0 CA--C 1.492 -1.264 0 O-C-N 125.549 1.781 . . . . 0.0 108.97 -172.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.288 1.0 OUTLIER -137.85 156.35 48.01 Favored 'General case' 0 C--N 1.354 0.784 0 O-C-N 126.506 2.379 . . . . 0.0 113.011 -179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.267 19.1 tptm -70.34 89.93 0.69 Allowed 'General case' 0 N--CA 1.476 0.851 0 O-C-N 126.286 2.241 . . . . 0.0 116.066 -161.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 1.028 ' OXT' HG22 ' A' ' 5' ' ' THR 0.391 5.8 t0 . . . . . 0 CA--C 1.495 -1.139 0 N-CA-C 117.307 2.336 . . . . 0.0 117.307 -155.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 117.822 -1.085 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.413 ' CE2' HD11 ' A' ' 84' ' ' LEU . 65.8 m-85 50.34 36.37 12.81 Favored 'General case' 0 C--N 1.355 0.809 0 CA-C-N 118.74 0.7 . . . . 0.0 110.612 -175.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.8 p-10 -150.33 112.97 4.73 Favored 'General case' 0 C--N 1.354 0.764 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 -176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 68.2 m -171.05 164.22 7.45 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.584 -170.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.1 m -99.32 93.37 5.89 Favored 'General case' 0 CA--C 1.502 -0.871 0 N-CA-C 101.422 -3.547 . . . . 0.0 101.422 161.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.638 ' CH2' HD11 ' A' ' 108' ' ' ILE . 78.5 m95 -77.23 168.6 19.78 Favored 'General case' 0 CA--C 1.504 -0.821 0 C-N-CA 119.222 -0.991 . . . . 0.0 108.985 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.255 0.0 OUTLIER -149.9 146.53 27.13 Favored 'General case' 0 CA--C 1.498 -1.046 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.628 174.953 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.73 132.08 32.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.888 0 C-N-CA 118.229 -1.388 . . . . 0.0 108.765 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -82.46 -50.46 8.83 Favored 'General case' 0 CA--C 1.509 -0.627 0 N-CA-C 104.394 -2.447 . . . . 0.0 104.394 160.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.4 ptt180 -154.37 164.1 39.13 Favored 'General case' 0 C--N 1.36 1.051 0 CA-C-O 118.423 -0.799 . . . . 0.0 112.287 -176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -129.12 140.8 51.41 Favored 'General case' 0 C--N 1.359 1.018 0 CA-C-O 115.91 -1.995 . . . . 0.0 109.487 -176.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -116.84 148.86 40.87 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 120.422 1.464 . . . . 0.0 112.68 -168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 44.54 43.97 6.81 Favored 'General case' 0 C--N 1.36 1.065 0 N-CA-C 106.992 -1.485 . . . . 0.0 106.992 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -99.21 -49.66 4.4 Favored 'General case' 0 CA--C 1.503 -0.839 0 N-CA-C 107.5 -1.296 . . . . 0.0 107.5 -165.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -52.81 -47.44 67.63 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-N 119.691 1.132 . . . . 0.0 108.419 171.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 mmmm -60.67 -56.66 18.66 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-N 119.192 0.905 . . . . 0.0 110.738 -178.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' CE2' ' HB2' ' A' ' 119' ' ' TYR . 26.3 t80 -56.11 -44.82 79.46 Favored 'General case' 0 C--N 1.347 0.478 0 C-N-CA 120.135 -0.626 . . . . 0.0 110.15 -177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 24.6 mmt -57.74 -48.21 80.26 Favored 'General case' 0 CA--C 1.51 -0.564 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.868 177.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -46.21 -46.07 17.33 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-N 119.465 1.03 . . . . 0.0 110.209 -177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.0 mttt -75.64 -37.87 59.35 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.097 -172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mmt -51.01 -41.21 59.64 Favored 'General case' 0 CA--C 1.497 -1.076 0 CA-C-N 118.068 0.394 . . . . 0.0 111.83 173.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.66 20.57 0.08 OUTLIER Glycine 0 C--N 1.345 1.049 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 -175.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.346 59.2 t -119.78 104.8 16.17 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.093 0 N-CA-C 100.415 -3.92 . . . . 0.0 100.415 -148.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.422 ' O ' ' C ' ' A' ' 25' ' ' ILE . 12.6 p30 -67.26 164.92 17.27 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.088 -1.079 . . . . 0.0 108.088 -168.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 24' ' ' ASN . 3.7 tt -38.12 -48.48 0.39 Allowed 'Isoleucine or valine' 0 CA--C 1.507 -0.704 0 O-C-N 124.593 1.183 . . . . 0.0 110.954 -171.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.339 0.0 OUTLIER -81.93 -27.74 9.57 Favored 'Isoleucine or valine' 0 C--N 1.35 0.629 0 CA-C-N 119.823 1.192 . . . . 0.0 111.716 -175.011 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -55.98 -31.03 62.64 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 120.161 -0.616 . . . . 0.0 110.343 166.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.4 mtm105 -80.24 -40.95 26.01 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 172.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -63.22 -14.25 47.08 Favored 'General case' 0 CA--C 1.503 -0.862 0 CA-C-O 117.507 -1.235 . . . . 0.0 108.899 -173.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.7 -47.98 5.68 Favored 'General case' 0 CA--C 1.504 -0.81 0 O-C-N 124.171 0.92 . . . . 0.0 109.953 162.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.58 -25.38 59.93 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 114.835 1.42 . . . . 0.0 114.835 -170.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -108.35 33.72 4.01 Favored 'General case' 0 C--N 1.355 0.843 0 N-CA-C 107.747 -1.205 . . . . 0.0 107.747 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 8.0 m80 -156.74 15.01 0.29 Allowed 'General case' 0 C--N 1.354 0.767 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 -168.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -122.9 -40.63 2.41 Favored 'General case' 0 C--N 1.35 0.622 0 CA-C-O 116.315 -1.802 . . . . 0.0 115.384 -169.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.555 ' O ' ' HG ' ' A' ' 36' ' ' LEU . 0.1 OUTLIER 147.47 168.61 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 113.376 -3.202 . . . . 0.0 110.856 -157.562 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' ASN 0.308 76.5 mt 179.7 95.85 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 122.553 2.433 . . . . 0.0 105.169 169.211 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.427 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -119.09 170.51 9.0 Favored 'General case' 0 CA--C 1.478 -1.809 0 CA-C-N 120.277 1.399 . . . . 0.0 112.894 -170.8 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.427 ' N ' ' CG ' ' A' ' 37' ' ' LYS 0.297 0.0 OUTLIER -129.31 141.23 51.15 Favored 'General case' 0 N--CA 1.435 -1.214 0 O-C-N 127.394 2.934 . . . . 0.0 110.099 176.315 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.8 m -111.48 98.18 7.27 Favored 'General case' 0 CA--C 1.498 -1.032 0 N-CA-C 104.605 -2.369 . . . . 0.0 104.605 150.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 tt -93.78 148.64 4.72 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.954 0 N-CA-C 104.432 -2.432 . . . . 0.0 104.432 179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 60.6 m -156.34 109.49 2.65 Favored 'General case' 0 CA--C 1.508 -0.658 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 -177.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.479 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 19.3 mm100 -75.31 158.58 32.63 Favored 'General case' 0 CA--C 1.506 -0.742 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -149.72 73.38 1.17 Allowed 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 -178.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.69 -124.45 8.0 Favored Glycine 0 C--N 1.35 1.332 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 -176.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -91.68 21.23 4.86 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 119.231 1.516 . . . . 0.0 111.256 175.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.9 tppp? -110.52 150.57 28.71 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.585 ' HE2' HD13 ' A' ' 84' ' ' LEU 0.25 10.2 m-85 -133.95 102.2 5.34 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 106.243 -1.762 . . . . 0.0 106.243 -175.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.9 t -97.9 141.57 30.72 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-N 121.305 1.866 . . . . 0.0 108.473 -177.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 38' ' ' LEU . 13.3 m -130.09 111.54 21.57 Favored 'Isoleucine or valine' 0 C--N 1.361 1.077 0 O-C-N 124.876 1.36 . . . . 0.0 109.737 -174.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -91.94 121.4 33.5 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.102 -2.184 . . . . 0.0 105.102 176.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 62.9 mm-40 -107.46 91.9 3.85 Favored 'General case' 0 CA--C 1.511 -0.553 0 N-CA-C 105.615 -1.995 . . . . 0.0 105.615 -172.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.429 ' O ' ' CB ' ' A' ' 53' ' ' SER 0.253 25.6 t -78.24 151.35 33.14 Favored 'General case' 0 CA--C 1.503 -0.842 0 CA-C-O 115.058 -2.401 . . . . 0.0 113.888 -175.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 52' ' ' SER . 0.5 OUTLIER 160.12 179.41 0.01 OUTLIER 'General case' 0 C--N 1.362 1.113 0 O-C-N 126.017 2.073 . . . . 0.0 112.413 162.029 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -38.44 -26.53 0.01 OUTLIER 'General case' 0 C--N 1.358 0.948 0 N-CA-C 113.827 1.047 . . . . 0.0 113.827 166.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -74.9 10.17 1.56 Allowed 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.252 1.387 . . . . 0.0 112.8 175.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 ttt-85 77.51 139.11 0.07 Allowed 'General case' 0 C--N 1.353 0.744 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -59.95 132.59 54.41 Favored 'General case' 0 CA--C 1.507 -0.682 0 CA-C-O 116.405 -1.76 . . . . 0.0 108.366 -178.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.5 mm -108.79 140.9 25.61 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 103.523 -2.769 . . . . 0.0 103.523 174.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -103.08 111.85 24.4 Favored 'General case' 0 C--N 1.351 0.656 0 N-CA-C 104.029 -2.582 . . . . 0.0 104.029 170.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 12.2 t -121.73 152.53 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.005 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.6 p -163.62 151.0 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.135 0 C-N-CA 117.998 -1.481 . . . . 0.0 111.924 -173.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.468 ' CE1' HD21 ' A' ' 89' ' ' LEU 0.255 25.5 p90 -162.95 177.22 9.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 O-C-N 125.21 1.568 . . . . 0.0 110.073 -171.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -124.19 -98.76 0.42 Allowed 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 -167.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -150.22 56.16 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 CA-C-N 121.579 1.99 . . . . 0.0 108.592 -179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.61 62.51 0.29 Allowed Glycine 0 C--N 1.355 1.584 0 N-CA-C 107.978 -2.049 . . . . 0.0 107.978 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -142.04 149.65 19.52 Favored 'Isoleucine or valine' 0 C--N 1.356 0.89 0 CA-C-O 116.371 -1.776 . . . . 0.0 109.531 -174.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 52.6 m -110.97 148.79 31.75 Favored 'General case' 0 C--N 1.363 1.169 0 O-C-N 125.267 1.604 . . . . 0.0 111.971 -167.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.9 p90 -172.39 162.96 5.52 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -87.39 153.17 21.65 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.78 0.675 . . . . 0.0 112.756 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -139.08 141.9 38.17 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.108 -2.182 . . . . 0.0 105.108 179.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -130.09 151.44 50.63 Favored 'General case' 0 C--N 1.352 0.676 0 CA-C-O 117.053 -1.451 . . . . 0.0 107.666 -179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.6 tp -111.16 162.75 14.61 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.09 -38.09 57.41 Favored 'General case' 0 CA--C 1.509 -0.62 0 CA-C-O 119.092 -0.48 . . . . 0.0 111.353 -176.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -53.52 -47.94 69.49 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.515 -1.661 . . . . 0.0 106.515 179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 140.4 67.7 0.04 OUTLIER Glycine 0 C--N 1.35 1.343 0 N-CA-C 108.481 -1.848 . . . . 0.0 108.481 172.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 8.4 m -125.22 159.77 30.8 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 106.639 -1.615 . . . . 0.0 106.639 -176.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -148.65 130.89 15.52 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 115.956 -1.973 . . . . 0.0 108.056 178.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -163.86 164.32 23.5 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-O 116.218 -1.849 . . . . 0.0 113.566 173.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 15.1 ttm180 -123.37 140.9 52.54 Favored 'General case' 0 C--N 1.362 1.131 0 CA-C-O 117.191 -1.385 . . . . 0.0 111.622 -173.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -164.06 -178.78 37.87 Favored Glycine 0 C--N 1.355 1.636 0 C-N-CA 119.742 -1.218 . . . . 0.0 113.466 -177.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -122.89 167.85 13.03 Favored 'General case' 0 CA--C 1.494 -1.192 0 O-C-N 125.478 1.34 . . . . 0.0 110.366 -173.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.606 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.0 m95 -134.32 149.97 50.92 Favored 'General case' 0 N--CA 1.44 -0.952 0 O-C-N 125.17 1.543 . . . . 0.0 109.454 168.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 85' ' ' GLU . 29.3 t -147.04 91.84 2.05 Favored 'General case' 0 CA--C 1.482 -1.637 0 N-CA-C 105.766 -1.938 . . . . 0.0 105.766 176.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD12 HD11 ' A' ' 89' ' ' LEU 0.334 6.1 tt -60.84 86.56 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 103.457 -2.794 . . . . 0.0 103.457 167.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' O ' ' A' ' 83' ' ' SER . 11.6 pt-20 -81.0 74.64 8.0 Favored 'General case' 0 C--N 1.356 0.871 0 N-CA-C 106.267 -1.753 . . . . 0.0 106.267 176.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 44.02 -89.2 0.01 OUTLIER Glycine 0 C--N 1.357 1.706 0 CA-C-O 118.798 -1.001 . . . . 0.0 112.762 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 85' ' ' GLU . 30.3 m120 -45.15 -53.41 8.11 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-N 117.945 0.873 . . . . 0.0 110.945 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 85' ' ' GLU 0.283 20.4 mtpt -141.63 -179.34 6.11 Favored 'General case' 0 CA--C 1.491 -1.309 0 CA-C-O 118.978 -0.534 . . . . 0.0 109.886 -174.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.606 HD23 ' CE3' ' A' ' 82' ' ' TRP 0.313 6.7 mp -98.45 136.15 38.99 Favored 'General case' 0 N--CA 1.426 -1.644 0 O-C-N 125.814 1.946 . . . . 0.0 112.182 152.156 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 10.8 mt -105.56 128.99 59.2 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.919 0 O-C-N 128.222 3.451 . . . . 0.0 106.49 157.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.463 ' N ' ' CZ3' ' A' ' 82' ' ' TRP . . . -122.93 168.99 15.17 Favored Glycine 0 C--N 1.355 1.594 0 N-CA-C 109.419 -1.472 . . . . 0.0 109.419 168.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -161.29 107.99 1.42 Allowed 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 116.486 -1.721 . . . . 0.0 108.688 -164.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -120.82 170.48 9.43 Favored 'General case' 0 C--N 1.363 1.159 0 CA-C-O 116.715 -1.612 . . . . 0.0 112.392 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 6.2 tmmm? -151.42 138.03 18.75 Favored 'General case' 0 C--N 1.364 1.23 0 CA-C-N 121.214 1.825 . . . . 0.0 113.159 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -73.36 157.43 36.98 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 -169.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.1 t -129.99 30.68 4.79 Favored 'General case' 0 C--N 1.352 0.713 0 O-C-N 124.76 1.288 . . . . 0.0 110.264 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -130.46 -62.92 0.91 Allowed 'General case' 0 C--N 1.351 0.646 0 N-CA-C 103.979 -2.6 . . . . 0.0 103.979 177.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -57.47 -58.99 5.86 Favored 'General case' 0 C--N 1.348 0.535 0 C-N-CA 119.827 -0.749 . . . . 0.0 112.102 160.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.78 71.14 1.28 Allowed Glycine 0 C--N 1.355 1.598 0 N-CA-C 106.248 -2.741 . . . . 0.0 106.248 -158.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -171.7 153.89 3.51 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.507 -0.759 . . . . 0.0 110.565 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -69.89 164.31 24.05 Favored 'General case' 0 CA--C 1.505 -0.759 0 N-CA-C 119.476 3.139 . . . . 0.0 119.476 -170.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 62.7 tp -127.86 151.08 49.5 Favored 'General case' 0 C--N 1.359 0.986 0 CA-C-N 112.371 -2.195 . . . . 0.0 106.016 154.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -131.79 119.1 20.81 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 120.589 1.54 . . . . 0.0 107.543 173.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 58.7 p -112.06 156.53 22.06 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 115.776 1.769 . . . . 0.0 115.776 -173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 5.7 t -135.61 154.17 34.33 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.149 0 O-C-N 123.509 0.505 . . . . 0.0 110.498 168.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 11.0 mtp-105 -152.2 139.37 19.28 Favored 'General case' 0 CA--C 1.506 -0.715 0 N-CA-C 104.351 -2.463 . . . . 0.0 104.351 175.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.75 146.11 1.58 Allowed 'General case' 0 CA--C 1.492 -1.276 0 CA-C-N 122.575 2.443 . . . . 0.0 109.956 179.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.638 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -80.68 119.64 30.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.66 0 N-CA-C 103.446 -2.798 . . . . 0.0 103.446 -178.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -106.46 114.77 46.52 Favored 'Isoleucine or valine' 0 C--N 1.353 0.742 0 CA-C-N 119.879 1.218 . . . . 0.0 108.203 176.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.29 -121.93 19.0 Favored Glycine 0 C--N 1.348 1.225 0 CA-C-N 120.438 1.472 . . . . 0.0 109.778 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -104.69 16.72 25.48 Favored 'General case' 0 C--N 1.357 0.891 0 CA-C-N 118.449 1.124 . . . . 0.0 111.996 174.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.574 ' O ' HD13 ' A' ' 108' ' ' ILE . 2.3 mp0 -122.94 160.77 25.5 Favored 'General case' 0 CA--C 1.489 -1.379 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.1 tt -108.63 134.92 50.71 Favored 'General case' 0 N--CA 1.444 -0.757 0 N-CA-C 105.132 -2.173 . . . . 0.0 105.132 177.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 2.6 p -98.69 161.4 3.03 Favored 'Isoleucine or valine' 0 C--N 1.351 0.67 0 CA-C-N 120.137 1.335 . . . . 0.0 110.063 173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.29 137.25 32.34 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 113.519 -3.134 . . . . 0.0 106.504 167.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 4.4 p -136.39 105.57 6.0 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 123.815 3.007 . . . . 0.0 109.017 178.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.3 m-30 -97.56 154.52 17.47 Favored 'General case' 0 C--N 1.357 0.903 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 177.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.75 112.32 3.15 Favored 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-O 116.369 -1.777 . . . . 0.0 106.836 -173.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.443 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 33.1 t80 -128.37 103.07 6.94 Favored 'General case' 0 C--N 1.359 0.99 0 CA-C-N 120.156 1.344 . . . . 0.0 114.44 -170.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 52.79 6.73 0.06 Allowed 'General case' 0 CA--C 1.498 -1.025 0 N-CA-C 116.655 2.094 . . . . 0.0 116.655 167.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 173.78 -55.75 0.14 Allowed Glycine 0 CA--C 1.49 -1.469 0 C-N-CA 116.357 -2.83 . . . . 0.0 112.799 -157.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 69.1 t -123.84 145.33 31.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-N 113.066 -1.567 . . . . 0.0 109.048 -159.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -104.45 109.04 20.75 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 179.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -95.51 158.77 15.31 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 105.924 -1.88 . . . . 0.0 105.924 176.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 21.7 ptmt -159.12 162.45 36.47 Favored 'General case' 0 CA--C 1.497 -1.092 0 CA-C-O 117.234 -1.365 . . . . 0.0 109.714 170.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.96 157.2 47.42 Favored 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 -176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.36 122.38 66.15 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.733 0 N-CA-C 103.702 -2.703 . . . . 0.0 103.702 173.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -116.19 145.56 43.0 Favored 'General case' 0 CA--C 1.495 -1.141 0 O-C-N 126.656 2.473 . . . . 0.0 106.028 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.84 154.99 43.96 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -45.23 164.37 0.02 OUTLIER 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 175.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.413 ' OXT' ' CG ' ' A' ' 131' ' ' ASP . 8.5 p-10 . . . . . 0 CA--C 1.506 -0.739 0 O-C-N 124.279 0.987 . . . . 0.0 109.794 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.086 0 CA-C-O 118.212 -0.899 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -79.96 74.96 6.7 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 106.108 -1.812 . . . . 0.0 106.108 177.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -149.12 146.5 27.72 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 179.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.452 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 1.3 m -167.04 167.79 14.27 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.457 -172.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.8 m -110.12 102.49 11.19 Favored 'General case' 0 CA--C 1.497 -1.094 1 N-CA-C 99.787 -4.153 . . . . 0.0 99.787 158.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.452 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 78.0 m95 -93.38 169.24 10.52 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 117.946 -1.502 . . . . 0.0 109.635 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -165.48 144.04 6.2 Favored 'General case' 0 C--N 1.352 0.7 0 CA-C-O 117.363 -1.303 . . . . 0.0 113.722 -172.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.4 p -58.88 107.39 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.221 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -175.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.65 -46.39 46.88 Favored 'General case' 0 CA--C 1.504 -0.81 0 N-CA-C 105.095 -2.187 . . . . 0.0 105.095 166.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.283 4.4 ttm180 -159.72 165.53 32.36 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-O 118.3 -0.857 . . . . 0.0 112.196 -166.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.3 m -146.76 153.94 40.8 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 116.881 -1.533 . . . . 0.0 112.453 174.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -140.79 147.92 39.82 Favored 'General case' 0 C--N 1.359 0.994 0 C-N-CA 118.631 -1.227 . . . . 0.0 109.536 -175.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 49.78 34.64 7.82 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -171.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -101.2 -44.19 5.75 Favored 'General case' 0 C--N 1.355 0.807 0 CA-C-O 118.367 -0.825 . . . . 0.0 111.701 -168.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -74.1 -31.42 62.78 Favored 'General case' 0 C--N 1.355 0.824 0 N-CA-C 105.074 -2.195 . . . . 0.0 105.074 171.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 tppp? -60.8 -52.41 65.18 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -56.77 -56.25 23.96 Favored 'General case' 0 CA--C 1.504 -0.79 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.575 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.402 ' O ' ' C ' ' A' ' 19' ' ' GLU 0.405 16.3 ptm -68.42 -38.85 81.6 Favored 'General case' 0 CA--C 1.504 -0.797 0 C-N-CA 118.592 -1.243 . . . . 0.0 108.981 -173.294 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' C ' ' O ' ' A' ' 18' ' ' MET . 36.0 tt0 -45.4 -43.84 11.52 Favored 'General case' 0 CA--C 1.504 -0.821 0 CA-C-N 120.187 1.358 . . . . 0.0 108.982 171.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -97.9 5.55 48.81 Favored 'General case' 0 C--N 1.352 0.692 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 -172.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.493 ' SD ' ' CD1' ' A' ' 119' ' ' TYR . 22.4 mmt -70.47 -13.02 61.95 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 152.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.6 56.79 5.82 Favored Glycine 0 CA--C 1.486 -1.769 0 N-CA-C 106.021 -2.832 . . . . 0.0 106.021 -176.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.404 0.4 OUTLIER -100.33 153.36 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.049 1 N-CA-C 98.713 -4.551 . . . . 0.0 98.713 178.085 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 25' ' ' ILE . 1.8 p-10 -85.77 148.81 25.67 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 120.746 1.612 . . . . 0.0 109.88 -170.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.411 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.1 tt -35.08 -46.79 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.354 0.792 0 CA-C-N 118.804 0.729 . . . . 0.0 109.847 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . 0.333 0.2 OUTLIER -77.1 -24.47 15.1 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 CA-C-O 117.245 -1.36 . . . . 0.0 110.473 -168.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 mmtp -53.79 -55.35 27.26 Favored 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 106.29 -1.744 . . . . 0.0 106.29 166.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.4 mtm105 -58.09 -36.13 72.42 Favored 'General case' 0 CA--C 1.499 -0.997 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -62.65 -42.09 99.41 Favored 'General case' 0 CA--C 1.5 -0.966 0 N-CA-C 105.581 -2.007 . . . . 0.0 105.581 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 33' ' ' HIS 0.347 3.7 pp -70.42 -37.16 74.38 Favored 'General case' 0 CA--C 1.492 -1.286 0 C-N-CA 118.514 -1.274 . . . . 0.0 110.858 173.432 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -62.29 -44.98 95.26 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 117.668 -1.613 . . . . 0.0 109.16 -171.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.02 80.7 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 30' ' ' LEU . 77.2 m80 -95.05 45.3 1.1 Allowed 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.472 0.483 . . . . 0.0 110.782 174.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -139.26 -52.52 0.55 Allowed 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.206 -1.378 . . . . 0.0 114.457 176.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.3 m120 83.27 -176.35 0.03 OUTLIER 'General case' 0 C--N 1.354 0.784 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.243 -177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.1 mp -162.73 128.97 3.42 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 -175.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -152.21 -179.5 7.58 Favored 'General case' 0 CA--C 1.474 -1.963 0 CA-C-N 120.15 1.341 . . . . 0.0 110.871 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . 0.323 1.0 OUTLIER -159.99 113.36 2.17 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 117.007 2.225 . . . . 0.0 117.007 -164.64 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 22.5 m -78.65 112.77 16.09 Favored 'General case' 0 CA--C 1.498 -1.029 0 CA-C-O 116.504 -1.712 . . . . 0.0 106.431 164.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -98.46 144.74 11.03 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.927 0 N-CA-C 103.891 -2.633 . . . . 0.0 103.891 168.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 17.7 m -163.68 122.2 1.95 Allowed 'General case' 0 CA--C 1.497 -1.067 0 N-CA-C 103.559 -2.756 . . . . 0.0 103.559 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.63 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 36.3 mt-30 -97.11 166.98 11.33 Favored 'General case' 0 CA--C 1.497 -1.091 0 C-N-CA 118.461 -1.296 . . . . 0.0 108.836 -176.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -140.48 87.88 2.16 Favored 'General case' 0 CA--C 1.51 -0.581 0 N-CA-C 105.131 -2.174 . . . . 0.0 105.131 178.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.38 -127.38 17.06 Favored Glycine 0 C--N 1.349 1.27 0 N-CA-C 108.414 -1.874 . . . . 0.0 108.414 -176.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -77.49 -14.13 59.75 Favored 'General case' 0 CA--C 1.505 -0.764 0 CA-C-O 116.086 -1.912 . . . . 0.0 111.093 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -95.68 165.15 12.46 Favored 'General case' 0 CA--C 1.498 -1.022 0 CA-C-N 121.261 1.846 . . . . 0.0 114.727 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.746 ' CD2' HD13 ' A' ' 84' ' ' LEU . 69.0 m-85 -123.11 105.95 10.37 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 -177.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -105.4 128.6 53.6 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 104.162 -2.533 . . . . 0.0 104.162 -176.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.17 167.73 16.73 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.046 0 C-N-CA 118.283 -1.367 . . . . 0.0 111.138 -171.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -143.07 99.45 3.46 Favored 'General case' 0 CA--C 1.496 -1.104 0 O-C-N 124.551 1.157 . . . . 0.0 108.328 -171.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -84.89 145.52 27.75 Favored 'General case' 0 CA--C 1.491 -1.295 0 N-CA-C 104.261 -2.496 . . . . 0.0 104.261 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.425 ' O ' ' CB ' ' A' ' 53' ' ' SER . 13.6 t -156.41 156.81 34.49 Favored 'General case' 0 CA--C 1.493 -1.244 0 C-N-CA 118.07 -1.452 . . . . 0.0 113.142 -161.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 52' ' ' SER . 2.2 m 148.61 176.29 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.685 0 O-C-N 125.809 1.943 . . . . 0.0 107.422 -177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -52.89 -22.25 5.27 Favored 'General case' 0 C--N 1.347 0.466 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.908 172.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -39.85 -52.22 2.38 Favored 'General case' 0 C--N 1.361 1.09 0 CA-C-O 117.483 -1.246 . . . . 0.0 108.911 170.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 131.38 131.22 0.0 OUTLIER 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.086 -2.191 . . . . 0.0 105.086 -175.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -64.88 143.61 57.83 Favored 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.566 -1.683 . . . . 0.0 109.891 -174.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 HD12 HG23 ' A' ' 60' ' ' VAL . 1.1 pp -140.48 111.57 4.08 Favored 'Isoleucine or valine' 0 C--N 1.359 0.987 0 CA-C-N 120.447 1.476 . . . . 0.0 108.403 175.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.4 140.15 58.84 Favored 'General case' 0 C--N 1.357 0.929 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.416 HG23 HD12 ' A' ' 58' ' ' ILE . 2.3 t -136.95 102.47 2.67 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 N-CA-C 104.315 -2.476 . . . . 0.0 104.315 178.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.7 p -101.67 147.12 8.87 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.524 0 N-CA-C 107.589 -1.263 . . . . 0.0 107.589 176.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -150.21 120.37 7.26 Favored 'General case' 0 N--CA 1.427 -1.581 0 N-CA-C 106.543 -1.651 . . . . 0.0 106.543 170.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -102.48 80.29 1.92 Allowed 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 105.498 -2.038 . . . . 0.0 105.498 174.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 63.36 60.18 1.17 Allowed 'General case' 0 C--N 1.349 0.58 0 C-N-CA 119.431 -0.908 . . . . 0.0 111.04 165.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 103.82 65.16 0.7 Allowed Glycine 0 C--N 1.356 1.673 0 CA-C-O 118.206 -1.33 . . . . 0.0 111.335 176.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.81 151.07 25.42 Favored 'Isoleucine or valine' 0 C--N 1.356 0.876 0 CA-C-O 117.082 -1.437 . . . . 0.0 111.484 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.5 m -98.0 153.02 18.67 Favored 'General case' 0 C--N 1.366 1.29 0 CA-C-O 117.018 -1.468 . . . . 0.0 113.049 -172.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 35.5 p90 -171.28 167.42 6.94 Favored 'General case' 0 C--N 1.36 1.03 0 CA-C-O 117.008 -1.472 . . . . 0.0 114.266 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.9 p-10 -97.85 163.59 12.73 Favored 'General case' 0 C--N 1.362 1.138 0 O-C-N 124.033 0.833 . . . . 0.0 112.118 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.471 ' CD1' ' O ' ' A' ' 71' ' ' ASN . 2.0 t80 -155.66 111.81 3.11 Favored 'General case' 0 C--N 1.354 0.764 0 CA-C-O 117.664 -1.16 . . . . 0.0 108.373 173.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.471 ' O ' ' CD1' ' A' ' 70' ' ' TYR . 6.5 m120 -54.29 161.04 1.45 Allowed 'General case' 0 C--N 1.357 0.896 0 CA-C-N 119.473 1.033 . . . . 0.0 109.271 174.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -123.24 0.06 Allowed 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 103.762 -2.681 . . . . 0.0 103.762 176.222 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.86 42.85 1.09 Allowed 'General case' 0 CA--C 1.504 -0.812 0 CA-C-N 121.181 1.81 . . . . 0.0 112.093 175.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.277 13.8 t0 96.55 39.36 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.927 0 O-C-N 124.145 0.903 . . . . 0.0 110.991 168.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.89 -60.82 0.02 OUTLIER Glycine 0 C--N 1.353 1.507 0 C-N-CA 118.378 -1.867 . . . . 0.0 113.707 168.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 20.2 m -83.38 160.81 21.54 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -136.34 168.48 19.35 Favored 'General case' 0 CA--C 1.494 -1.204 0 C-N-CA 119.394 -0.922 . . . . 0.0 110.416 175.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -160.55 159.35 30.53 Favored 'General case' 0 CA--C 1.502 -0.894 0 O-C-N 125.365 1.665 . . . . 0.0 113.704 168.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -120.15 157.75 28.36 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-O 116.439 -1.744 . . . . 0.0 110.449 -171.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.69 167.93 35.97 Favored Glycine 0 C--N 1.353 1.524 0 O-C-N 125.474 1.734 . . . . 0.0 114.189 179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 65.5 p -98.59 160.0 14.57 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 173.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.962 ' CE3' HD22 ' A' ' 89' ' ' LEU . 1.3 m95 -138.35 143.84 40.05 Favored 'General case' 0 C--N 1.35 0.609 0 CA-C-O 117.051 -1.452 . . . . 0.0 109.939 171.526 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -144.06 96.53 2.9 Favored 'General case' 0 CA--C 1.494 -1.174 0 O-C-N 124.817 1.323 . . . . 0.0 108.18 179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.746 HD13 ' CD2' ' A' ' 47' ' ' PHE 0.357 5.2 tt -73.55 122.77 22.76 Favored 'General case' 0 N--CA 1.44 -0.934 0 O-C-N 124.725 1.266 . . . . 0.0 108.249 176.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' N ' HD23 ' A' ' 84' ' ' LEU . 9.4 pt-20 -143.97 146.57 33.01 Favored 'General case' 0 C--N 1.357 0.917 0 CA-C-O 117.295 -1.336 . . . . 0.0 107.585 -167.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 51.93 -138.37 30.5 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-O 117.437 -1.757 . . . . 0.0 109.501 -176.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -108.56 49.8 0.8 Allowed 'General case' 0 C--N 1.356 0.874 0 CA-C-N 119.366 1.583 . . . . 0.0 108.306 173.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.86 172.21 17.74 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.927 172.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.962 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -108.73 129.51 55.36 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 116.737 -1.601 . . . . 0.0 111.92 169.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.4 mp -108.29 126.47 64.97 Favored 'Isoleucine or valine' 0 C--N 1.36 1.038 0 CA-C-O 115.888 -2.006 . . . . 0.0 109.792 171.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.519 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -138.34 171.55 23.38 Favored Glycine 0 C--N 1.36 1.885 0 CA-C-N 120.149 1.34 . . . . 0.0 114.086 177.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.46 111.85 4.43 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 -171.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -113.17 167.81 10.23 Favored 'General case' 0 C--N 1.349 0.579 0 CA-C-O 117.238 -1.363 . . . . 0.0 110.532 177.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -156.25 134.32 11.27 Favored 'General case' 0 C--N 1.362 1.121 0 CA-C-O 117.204 -1.379 . . . . 0.0 111.008 176.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.1 mtt180 -49.05 117.54 2.17 Favored 'General case' 0 C--N 1.361 1.084 0 O-C-N 124.02 0.825 . . . . 0.0 110.746 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 t -69.49 -20.27 63.73 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 118.096 -0.954 . . . . 0.0 108.897 171.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -93.04 25.64 3.15 Favored 'General case' 0 C--N 1.358 0.966 0 CA-C-O 117.624 -1.179 . . . . 0.0 111.625 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -177.42 -51.47 0.01 OUTLIER 'General case' 0 C--N 1.36 1.037 0 CA-C-N 120.426 1.467 . . . . 0.0 114.928 -169.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.86 55.63 1.29 Allowed Glycine 0 C--N 1.357 1.722 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -173.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . 0.296 1.5 m-80 -121.65 99.32 6.4 Favored 'General case' 0 CA--C 1.484 -1.572 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -45.22 99.75 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 112.197 -2.274 . . . . 0.0 116.068 170.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.8 tp -88.51 101.64 14.13 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 103.77 -2.678 . . . . 0.0 103.77 168.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -80.9 136.46 36.06 Favored 'General case' 0 CA--C 1.506 -0.725 0 CA-C-O 116.105 -1.902 . . . . 0.0 105.931 177.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 3.5 p -136.07 159.58 41.28 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 120.89 1.677 . . . . 0.0 111.546 178.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 25.5 t -147.09 145.8 19.0 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.804 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.546 ' HG3' ' CH2' ' A' ' 82' ' ' TRP . 0.4 OUTLIER -139.3 149.22 43.99 Favored 'General case' 0 CA--C 1.484 -1.58 0 O-C-N 126.039 2.087 . . . . 0.0 106.041 178.581 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -172.02 171.71 4.93 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 115.379 -2.248 . . . . 0.0 105.806 166.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . 0.422 0.0 OUTLIER -112.29 143.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.319 0 O-C-N 125.743 1.902 . . . . 0.0 111.958 171.482 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 111' ' ' ASP . 2.0 mt -124.47 144.22 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.227 0 O-C-N 125.66 1.85 . . . . 0.0 110.212 175.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 36.97 -77.05 0.0 OUTLIER Glycine 0 C--N 1.345 1.075 0 O-C-N 125.987 2.054 . . . . 0.0 114.287 -156.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.483 ' N ' ' O ' ' A' ' 109' ' ' ILE . 17.2 m-20 -151.97 45.85 0.76 Allowed 'General case' 0 CA--C 1.512 -0.517 0 N-CA-C 106.608 -1.627 . . . . 0.0 106.608 177.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -143.24 129.28 19.63 Favored 'General case' 0 CA--C 1.494 -1.184 0 CA-C-O 116.192 -1.861 . . . . 0.0 111.564 -177.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 128' ' ' PHE 0.369 8.2 tt -91.66 106.05 18.19 Favored 'General case' 0 CA--C 1.504 -0.809 0 CA-C-N 120.285 1.402 . . . . 0.0 108.66 -173.307 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.7 p -79.41 149.43 5.42 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 C-N-CA 117.188 -1.805 . . . . 0.0 109.755 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.16 157.68 29.66 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-O 117.364 -1.303 . . . . 0.0 108.466 160.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 1.1 p -134.83 132.03 38.15 Favored 'General case' 0 C--N 1.35 0.593 0 N-CA-C 105.134 -2.172 . . . . 0.0 105.134 174.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -122.64 112.88 18.51 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 121.11 1.777 . . . . 0.0 108.993 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 9.2 t -111.84 102.08 13.45 Favored 'Isoleucine or valine' 0 C--N 1.36 1.043 0 CA-C-N 120.249 1.386 . . . . 0.0 111.042 -176.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.493 ' CD1' ' SD ' ' A' ' 21' ' ' MET . 73.3 t80 -90.0 163.36 14.96 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 117.346 -1.311 . . . . 0.0 110.312 178.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -76.52 62.78 1.95 Allowed 'General case' 0 C--N 1.359 0.989 0 CA-C-O 122.361 1.077 . . . . 0.0 108.621 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 169.65 -43.72 0.21 Allowed Glycine 0 CA--C 1.501 -0.832 0 N-CA-C 109.073 -1.611 . . . . 0.0 109.073 -177.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . 0.278 10.5 t -142.54 160.31 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.835 0 CA-C-O 117.211 -1.376 . . . . 0.0 109.37 -165.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -129.51 166.36 19.82 Favored 'General case' 0 CA--C 1.502 -0.895 0 CA-C-N 119.387 0.994 . . . . 0.0 110.349 174.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -144.82 175.16 10.4 Favored 'General case' 0 CA--C 1.5 -0.974 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 175.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.7 ttpt -151.2 151.08 31.38 Favored 'General case' 0 CA--C 1.473 -1.982 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 170.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.664 ' CZ ' ' CE1' ' A' ' 128' ' ' PHE 0.435 0.0 OUTLIER -144.19 139.99 29.06 Favored 'General case' 0 N--CA 1.434 -1.271 0 N-CA-C 103.419 -2.808 . . . . 0.0 103.419 -172.269 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.6 mt -119.93 135.78 59.15 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.862 0 N-CA-C 106.957 -1.497 . . . . 0.0 106.957 -173.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.664 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 4.4 m-30 -120.32 160.77 22.35 Favored 'General case' 0 CA--C 1.496 -1.118 0 CA-C-O 116.489 -1.72 . . . . 0.0 108.831 -177.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.2 164.79 29.31 Favored 'General case' 0 CA--C 1.501 -0.919 0 O-C-N 125.554 1.784 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.483 ' O ' ' C ' ' A' ' 131' ' ' ASP . 25.6 mmtp -53.43 85.3 0.0 OUTLIER 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.798 1.311 . . . . 0.0 111.383 172.032 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.483 ' C ' ' O ' ' A' ' 130' ' ' LYS . 8.7 t70 . . . . . 0 CA--C 1.509 -0.618 0 N-CA-C 116.131 1.9 . . . . 0.0 116.131 161.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 117.832 -1.08 . . . . 0.0 113.118 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -74.01 150.96 40.38 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-N 119.173 0.897 . . . . 0.0 109.969 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -164.03 129.07 2.84 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.359 -1.305 . . . . 0.0 107.741 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -168.87 163.82 11.67 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-N 120.156 1.344 . . . . 0.0 111.203 -171.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 43.7 m -103.04 71.68 1.14 Allowed 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 104.013 -2.588 . . . . 0.0 104.013 168.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.651 ' CH2' HD11 ' A' ' 108' ' ' ILE . 67.2 m95 -62.27 166.97 4.45 Favored 'General case' 0 CA--C 1.497 -1.082 0 C-N-CA 117.109 -1.837 . . . . 0.0 109.082 -171.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.458 ' HD3' ' C ' ' A' ' 7' ' ' LYS . 9.5 tmtt? -161.25 142.74 11.68 Favored 'General case' 0 CA--C 1.499 -1.002 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.628 -170.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.08 125.52 36.95 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 -174.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -92.01 -46.51 7.77 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-O 116.616 -1.659 . . . . 0.0 106.557 163.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.289 3.9 mmp_? -130.02 149.57 51.68 Favored 'General case' 0 C--N 1.361 1.083 0 CA-C-N 121.43 1.923 . . . . 0.0 112.038 -170.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . 0.25 0.8 OUTLIER -140.81 134.41 30.12 Favored 'General case' 0 C--N 1.359 1.007 0 CA-C-N 121.007 1.731 . . . . 0.0 111.719 171.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -112.94 135.08 54.1 Favored 'General case' 0 C--N 1.36 1.056 0 CA-C-O 116.875 -1.536 . . . . 0.0 108.016 -168.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 m120 53.9 48.02 22.2 Favored 'General case' 0 C--N 1.356 0.881 0 CA-C-N 120.225 1.375 . . . . 0.0 110.789 -176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 2.2 m-30 -96.59 -56.49 2.58 Favored 'General case' 0 CA--C 1.505 -0.756 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 177.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -49.81 -50.81 43.69 Favored 'General case' 0 C--N 1.349 0.573 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 175.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -59.63 -55.89 28.8 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 119.099 0.863 . . . . 0.0 112.494 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CE1' ' HG2' ' A' ' 21' ' ' MET . 2.9 t80 -57.43 -46.14 83.88 Favored 'General case' 0 CA--C 1.502 -0.875 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 -171.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -58.53 -52.02 67.43 Favored 'General case' 0 CA--C 1.508 -0.64 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 175.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -38.16 6.39 Favored 'General case' 0 C--N 1.347 0.484 0 C-N-CA 119.928 -0.709 . . . . 0.0 111.666 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -84.94 -28.59 25.75 Favored 'General case' 0 C--N 1.351 0.667 0 N-CA-C 112.89 0.7 . . . . 0.0 112.89 -178.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.504 ' HG2' ' CE1' ' A' ' 17' ' ' PHE . 54.3 mmm -56.13 -52.87 62.78 Favored 'General case' 0 CA--C 1.49 -1.333 0 CA-C-N 118.983 0.811 . . . . 0.0 109.068 172.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.38 21.41 0.02 OUTLIER Glycine 0 CA--C 1.497 -1.057 0 C-N-CA 117.129 -2.462 . . . . 0.0 118.493 -167.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.369 93.0 t -122.02 105.32 16.15 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.065 1 N-CA-C 99.74 -4.17 . . . . 0.0 99.74 -147.916 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.425 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.25 170.72 16.21 Favored 'General case' 0 CA--C 1.5 -0.978 0 O-C-N 124.857 1.348 . . . . 0.0 109.956 -163.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 24' ' ' ASN . 1.9 tp -27.26 -50.95 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.504 -0.826 0 O-C-N 124.898 1.374 . . . . 0.0 111.952 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -82.96 -31.1 8.73 Favored 'Isoleucine or valine' 0 C--N 1.349 0.556 0 C-N-CA 118.758 -1.177 . . . . 0.0 111.309 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.261 2.0 tptm -66.44 -20.29 66.02 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 118.023 0.374 . . . . 0.0 110.476 176.318 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.0 mtp180 -83.02 -40.8 19.47 Favored 'General case' 0 CA--C 1.504 -0.812 0 CA-C-O 117.57 -1.205 . . . . 0.0 111.036 170.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -48.21 -39.27 20.58 Favored 'General case' 0 C--N 1.353 0.751 0 C-N-CA 118.72 -1.192 . . . . 0.0 108.578 176.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.6 tp -84.47 -34.23 23.45 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 117.205 -1.379 . . . . 0.0 107.589 178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.84 -36.32 64.91 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 122.092 2.224 . . . . 0.0 111.703 176.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.64 -10.99 30.64 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-O 118.376 -0.821 . . . . 0.0 111.973 178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -122.15 38.22 4.19 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 172.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -117.61 54.43 0.9 Allowed 'General case' 0 C--N 1.358 0.942 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' N ' ' ND2' ' A' ' 35' ' ' ASN . 0.1 OUTLIER -6.77 -96.41 0.0 OUTLIER 'General case' 0 C--N 1.352 0.688 0 N-CA-C 117.199 2.296 . . . . 0.0 117.199 156.208 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . 0.634 0.7 OUTLIER 117.85 152.07 0.0 OUTLIER 'General case' 0 C--N 1.36 1.042 0 C-N-CA 125.255 1.422 . . . . 0.0 107.874 -176.381 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.602 ' HG2' ' HB3' ' A' ' 52' ' ' SER . 3.5 ttmt 178.3 164.8 0.75 Allowed 'General case' 0 CA--C 1.481 -1.683 0 C-N-CA 118.48 -1.288 . . . . 0.0 112.075 -171.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD11 HG13 ' A' ' 49' ' ' VAL 0.42 5.8 tp -158.48 114.92 2.75 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 117.789 2.514 . . . . 0.0 117.789 -171.27 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . 0.255 92.5 m -75.44 106.73 7.13 Favored 'General case' 0 CA--C 1.495 -1.139 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 163.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 tt -102.92 153.64 5.55 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.838 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 171.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 98.9 m -161.91 96.28 1.01 Allowed 'General case' 0 CA--C 1.507 -0.703 0 N-CA-C 104.055 -2.572 . . . . 0.0 104.055 176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.459 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 18.3 mm100 -61.18 157.1 16.8 Favored 'General case' 0 C--N 1.35 0.615 0 N-CA-C 105.986 -1.857 . . . . 0.0 105.986 177.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -137.42 71.11 1.4 Allowed 'General case' 0 CA--C 1.51 -0.595 0 N-CA-C 103.933 -2.617 . . . . 0.0 103.933 174.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.81 -106.98 1.92 Allowed Glycine 0 C--N 1.35 1.325 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -89.97 10.86 22.38 Favored 'General case' 0 C--N 1.351 0.665 0 CA-C-O 117.468 -1.253 . . . . 0.0 112.243 -179.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -116.44 157.24 25.46 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 119.233 0.924 . . . . 0.0 110.507 -178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.459 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 39.9 m-85 -120.2 102.97 8.87 Favored 'General case' 0 N--CA 1.442 -0.855 0 N-CA-C 106.036 -1.839 . . . . 0.0 106.036 176.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.1 m -85.52 114.54 22.61 Favored 'General case' 0 CA--C 1.507 -0.679 0 CA-C-O 116.042 -1.933 . . . . 0.0 106.031 176.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.588 HG13 HD11 ' A' ' 38' ' ' LEU . 2.5 t -121.88 119.04 57.56 Favored 'Isoleucine or valine' 0 C--N 1.36 1.054 0 CA-C-N 120.025 1.284 . . . . 0.0 108.426 -172.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.7 tttt -109.13 91.09 3.5 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -79.56 147.68 32.05 Favored 'General case' 0 CA--C 1.506 -0.747 0 C-N-CA 118.22 -1.392 . . . . 0.0 108.198 -173.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.602 ' HB3' ' HG2' ' A' ' 37' ' ' LYS . 28.1 t -136.46 155.46 49.97 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-O 117.637 -1.173 . . . . 0.0 111.426 -173.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 65.9 p -166.05 158.57 14.68 Favored 'General case' 0 C--N 1.351 0.666 0 O-C-N 124.85 1.344 . . . . 0.0 107.566 -178.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.48 -22.98 65.57 Favored 'General case' 0 C--N 1.353 0.728 0 CA-C-N 120.596 1.544 . . . . 0.0 109.96 176.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -61.98 -61.27 2.6 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 27.7 tpt180 178.01 142.46 0.1 Allowed 'General case' 0 C--N 1.354 0.771 0 CA-C-O 116.392 -1.766 . . . . 0.0 106.646 177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.69 152.31 25.87 Favored 'General case' 0 CA--C 1.499 -1.01 0 CA-C-N 120.545 1.52 . . . . 0.0 111.983 -178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -133.29 147.95 31.16 Favored 'Isoleucine or valine' 0 C--N 1.359 1.015 0 C-N-CA 118.637 -1.225 . . . . 0.0 109.297 178.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -80.48 137.69 36.49 Favored 'General case' 0 C--N 1.359 0.987 0 N-CA-C 104.468 -2.419 . . . . 0.0 104.468 171.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.6 t -141.57 97.38 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.506 -0.725 0 N-CA-C 103.392 -2.818 . . . . 0.0 103.392 -173.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -109.02 143.65 18.86 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.693 0 CA-C-N 119.847 1.203 . . . . 0.0 112.374 -171.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -163.64 174.83 11.23 Favored 'General case' 0 N--CA 1.426 -1.631 0 C-N-CA 117.116 -1.834 . . . . 0.0 113.272 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -141.05 173.89 11.05 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 105.116 -2.179 . . . . 0.0 105.116 -167.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.21 126.08 26.11 Favored 'General case' 0 C--O 1.221 -0.415 0 C-N-CA 118.847 -1.141 . . . . 0.0 110.815 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.32 50.79 36.28 Favored Glycine 0 C--N 1.353 1.524 0 CA-C-O 117.989 -1.451 . . . . 0.0 110.95 173.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.07 153.96 22.96 Favored 'Isoleucine or valine' 0 C--N 1.355 0.847 0 CA-C-O 117.165 -1.398 . . . . 0.0 111.085 -175.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.5 m -107.59 151.97 24.9 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-O 117.336 -1.316 . . . . 0.0 111.077 -174.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -164.41 149.74 10.23 Favored 'General case' 0 C--N 1.359 1.015 0 CA-C-N 119.778 1.172 . . . . 0.0 114.104 -177.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -83.82 164.81 19.28 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-N 118.72 0.691 . . . . 0.0 112.272 -178.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -147.76 131.56 17.02 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 105.467 -2.049 . . . . 0.0 105.467 176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -124.85 119.52 29.08 Favored 'General case' 0 C--N 1.355 0.811 0 CA-C-N 120.693 1.588 . . . . 0.0 108.882 -174.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.5 tp -85.68 166.34 16.24 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-N 120.365 1.438 . . . . 0.0 107.463 -175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.16 -22.51 36.04 Favored 'General case' 0 C--N 1.355 0.815 0 CA-C-N 120.818 1.645 . . . . 0.0 112.025 -175.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -52.14 -35.35 48.2 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 104.541 -2.392 . . . . 0.0 104.541 176.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 117.63 71.79 0.43 Allowed Glycine 0 C--N 1.355 1.63 0 N-CA-C 103.546 -3.822 . . . . 0.0 103.546 172.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.5 m -155.0 160.59 41.19 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 -163.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -126.59 157.94 37.54 Favored 'General case' 0 CA--C 1.503 -0.828 0 O-C-N 124.49 1.119 . . . . 0.0 109.816 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.7 tp -163.78 147.8 10.26 Favored 'General case' 0 CA--C 1.508 -0.646 0 N-CA-C 106.166 -1.79 . . . . 0.0 106.166 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 24.9 ttp180 -152.82 143.39 22.7 Favored 'General case' 0 CA--C 1.502 -0.903 0 CA-C-N 120.91 1.686 . . . . 0.0 111.77 -172.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -154.36 172.91 32.92 Favored Glycine 0 C--N 1.356 1.648 0 C-N-CA 119.341 -1.409 . . . . 0.0 115.485 -170.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 73.3 p -113.02 163.57 14.53 Favored 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 126.292 1.819 . . . . 0.0 108.807 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.896 ' CE3' HD23 ' A' ' 89' ' ' LEU . 8.5 m95 -140.61 146.67 38.28 Favored 'General case' 0 C--N 1.353 0.724 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.223 173.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.5 m -142.51 94.86 2.7 Favored 'General case' 0 CA--C 1.496 -1.118 0 O-C-N 126.6 2.438 . . . . 0.0 109.442 -178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' HA ' HD12 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -49.41 107.51 0.15 Allowed 'General case' 0 N--CA 1.445 -0.699 0 O-C-N 124.234 0.959 . . . . 0.0 110.718 166.221 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' GLY . 2.0 mm-40 -109.38 147.01 33.47 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-O 116.624 -1.655 . . . . 0.0 108.244 174.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 29.47 -109.21 0.02 OUTLIER Glycine 0 C--N 1.355 1.635 0 CA-C-O 117.344 -1.809 . . . . 0.0 114.798 173.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.68 32.83 5.93 Favored 'General case' 0 C--N 1.36 1.033 0 CA-C-N 119.132 1.466 . . . . 0.0 110.929 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -146.72 -174.92 4.6 Favored 'General case' 0 CA--C 1.501 -0.933 0 CA-C-O 117.917 -1.04 . . . . 0.0 108.454 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CE3' ' A' ' 82' ' ' TRP . 1.3 tp -124.53 145.03 49.8 Favored 'General case' 0 CA--C 1.504 -0.798 0 CA-C-O 115.7 -2.095 . . . . 0.0 110.276 167.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.33 125.64 73.97 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 O-C-N 125.651 1.844 . . . . 0.0 110.465 171.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.1 164.41 22.15 Favored Glycine 0 C--N 1.362 1.972 0 C-N-CA 119.939 -1.124 . . . . 0.0 112.389 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.4 110.4 5.18 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 106.464 -1.68 . . . . 0.0 106.464 -169.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.411 ' CD2' HG21 ' A' ' 104' ' ' THR . 0.4 OUTLIER -93.54 -175.68 3.86 Favored 'General case' 0 CA--C 1.51 -0.585 0 CA-C-O 118.113 -0.946 . . . . 0.0 109.144 -175.516 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.405 ' HA ' ' CA ' ' A' ' 101' ' ' GLU . 0.1 OUTLIER -171.84 145.28 1.89 Allowed 'General case' 0 C--N 1.352 0.685 0 O-C-N 124.914 1.384 . . . . 0.0 107.87 161.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -91.36 96.42 10.52 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -174.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.3 t -50.66 -21.02 1.39 Allowed 'General case' 0 C--N 1.354 0.782 0 CA-C-O 117.129 -1.415 . . . . 0.0 113.254 -177.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -89.12 29.1 1.1 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-N 120.7 1.591 . . . . 0.0 111.922 176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -176.96 -48.05 0.01 OUTLIER 'General case' 0 C--N 1.358 0.947 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 -168.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 98.3 35.14 5.1 Favored Glycine 0 C--N 1.357 1.696 0 CA-C-O 117.761 -1.577 . . . . 0.0 112.759 -175.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.422 ' HB2' ' CE1' ' A' ' 119' ' ' TYR 0.251 8.1 m-80 -121.64 85.65 2.44 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 104.757 -2.312 . . . . 0.0 104.757 169.495 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.405 ' CA ' ' HA ' ' A' ' 94' ' ' LYS . 2.3 pt-20 5.28 144.19 0.0 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 CA-C-N 110.527 -3.033 . . . . 0.0 114.096 129.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 103' ' ' ASN . 6.9 tt -144.57 149.03 35.15 Favored 'General case' 0 CA--C 1.5 -0.98 0 O-C-N 119.153 -2.217 . . . . 0.0 107.071 159.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' N ' HD23 ' A' ' 102' ' ' LEU . 3.4 m-80 -102.48 87.94 3.14 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 103.575 -2.75 . . . . 0.0 103.575 -174.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.412 ' N ' HD23 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -86.27 146.4 26.54 Favored 'General case' 0 CA--C 1.497 -1.077 0 CA-C-N 112.807 -1.997 . . . . 0.0 105.982 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 HG23 ' A' ' 116' ' ' THR . 0.4 OUTLIER -152.27 139.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.494 -1.209 0 CA-C-O 115.6 -2.143 . . . . 0.0 110.712 177.398 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 106' ' ' ARG . 6.7 mtp-105 -122.18 133.73 54.73 Favored 'General case' 0 CA--C 1.496 -1.134 0 CA-C-O 114.651 -2.595 . . . . 0.0 106.204 -171.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.99 153.35 6.93 Favored 'General case' 0 CA--C 1.496 -1.108 0 C-N-CA 116.069 -2.253 . . . . 0.0 112.205 163.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.651 HD11 ' CH2' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -86.46 128.38 39.54 Favored 'Isoleucine or valine' 0 C--N 1.353 0.756 0 CA-C-O 115.523 -2.18 . . . . 0.0 106.099 -173.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -114.42 117.97 57.15 Favored 'Isoleucine or valine' 0 C--N 1.361 1.068 0 CA-C-N 121.327 1.876 . . . . 0.0 110.185 172.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.61 -129.8 49.14 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 109.095 -1.602 . . . . 0.0 109.095 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -108.7 36.2 2.93 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-N 118.601 1.2 . . . . 0.0 110.242 172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' O ' HD13 ' A' ' 108' ' ' ILE . 16.7 pt-20 -139.77 153.15 47.07 Favored 'General case' 0 CA--C 1.496 -1.103 0 N-CA-C 106.05 -1.833 . . . . 0.0 106.05 171.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.545 HD21 ' OE1' ' A' ' 115' ' ' GLN . 6.4 tt -102.85 137.37 41.15 Favored 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 104.021 -2.585 . . . . 0.0 104.021 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -105.82 153.22 7.34 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.631 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.545 ' OE1' HD21 ' A' ' 113' ' ' LEU . 4.8 mt-30 -137.0 162.16 34.06 Favored 'General case' 0 CA--C 1.503 -0.849 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 161.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.415 HG23 HG12 ' A' ' 105' ' ' VAL . 1.2 p -136.8 142.11 42.92 Favored 'General case' 0 C--N 1.351 0.66 0 N-CA-C 104.404 -2.443 . . . . 0.0 104.404 -170.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -140.64 115.08 9.37 Favored 'General case' 0 C--N 1.354 0.799 0 CA-C-O 115.438 -2.22 . . . . 0.0 113.022 -172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . 0.258 20.8 t -120.37 105.23 16.66 Favored 'Isoleucine or valine' 0 C--N 1.367 1.328 0 CA-C-N 121.608 2.004 . . . . 0.0 114.854 175.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.566 ' O ' ' N ' ' A' ' 121' ' ' GLY 0.258 30.8 t80 -85.8 116.92 24.35 Favored 'General case' 0 C--N 1.365 1.243 0 CA-C-O 116.034 -1.936 . . . . 0.0 109.859 -176.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 22.64 10.27 0.0 OUTLIER 'General case' 0 C--N 1.345 0.37 1 N-CA-C 123.668 4.692 . . . . 0.0 123.668 -171.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.566 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 168.31 -57.53 0.21 Allowed Glycine 0 CA--C 1.494 -1.236 0 O-C-N 120.39 -1.444 . . . . 0.0 112.803 -158.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 66.7 t -90.81 131.08 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.038 0 CA-C-N 111.345 -2.427 . . . . 0.0 105.888 -165.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -104.47 150.06 24.9 Favored 'General case' 0 CA--C 1.498 -1.052 0 O-C-N 124.561 1.163 . . . . 0.0 109.932 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -155.72 170.1 22.83 Favored 'General case' 0 CA--C 1.495 -1.14 0 N-CA-C 107.646 -1.242 . . . . 0.0 107.646 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . 0.284 36.3 ttpt -164.83 152.16 11.27 Favored 'General case' 0 CA--C 1.461 -2.467 0 C-N-CA 117.797 -1.561 . . . . 0.0 106.887 -175.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.559 ' NH1' ' CE2' ' A' ' 128' ' ' PHE 0.559 0.0 OUTLIER -144.31 152.76 41.22 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 104.698 -2.334 . . . . 0.0 104.698 -177.022 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.87 135.52 59.91 Favored 'Isoleucine or valine' 0 C--N 1.361 1.094 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.559 ' CE2' ' NH1' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -122.59 139.65 53.69 Favored 'General case' 0 C--N 1.357 0.935 0 N-CA-C 104.139 -2.541 . . . . 0.0 104.139 -168.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.306 2.6 mmmm -123.46 170.99 9.82 Favored 'General case' 0 C--N 1.355 0.816 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -53.93 90.23 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.416 1.073 . . . . 0.0 111.869 167.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.548 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.5 OUTLIER . . . . . 0 CA--C 1.506 -0.749 0 N-CA-C 113.807 1.04 . . . . 0.0 113.807 147.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 117.588 -1.196 . . . . 0.0 112.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -148.08 -54.05 0.2 Allowed 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.527 -1.225 . . . . 0.0 112.167 -179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.11 134.85 2.67 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 120.291 1.405 . . . . 0.0 111.612 -178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.455 ' HB2' ' CD1' ' A' ' 6' ' ' TRP . 32.8 m -164.7 169.05 17.33 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 117.14 -1.41 . . . . 0.0 108.826 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.5 m -105.31 69.5 0.85 Allowed 'General case' 0 CA--C 1.5 -0.962 0 N-CA-C 103.55 -2.759 . . . . 0.0 103.55 165.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.455 ' CD1' ' HB2' ' A' ' 4' ' ' SER . 53.1 m95 -64.11 166.45 7.73 Favored 'General case' 0 CA--C 1.494 -1.179 0 C-N-CA 117.035 -1.866 . . . . 0.0 110.097 -169.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . 0.25 7.8 tmtt? -151.93 126.04 9.21 Favored 'General case' 0 N--CA 1.445 -0.694 0 CA-C-O 117.664 -1.16 . . . . 0.0 111.901 -177.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 t -50.9 102.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.362 1.148 0 O-C-N 124.185 0.928 . . . . 0.0 108.748 177.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.15 -38.55 75.52 Favored 'General case' 0 N--CA 1.444 -0.764 0 N-CA-C 105.985 -1.857 . . . . 0.0 105.985 167.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.85 167.25 29.68 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 118.27 -1.372 . . . . 0.0 111.44 -179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.2 m -134.3 159.41 41.06 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 124.631 1.207 . . . . 0.0 108.962 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -135.58 156.62 48.58 Favored 'General case' 0 C--N 1.352 0.677 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 174.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.6 m120 47.02 36.77 4.37 Favored 'General case' 0 C--N 1.356 0.875 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -177.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -91.6 -52.07 4.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -172.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.8 m-20 -57.68 -35.01 70.01 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -60.64 2.15 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 28.3 t80 -51.46 -46.89 63.24 Favored 'General case' 0 CA--C 1.506 -0.717 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -175.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . 0.267 3.7 ptm -76.49 -37.18 57.21 Favored 'General case' 0 CA--C 1.507 -0.694 0 CA-C-O 117.798 -1.096 . . . . 0.0 109.913 -174.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -45.16 -43.38 9.92 Favored 'General case' 0 C--N 1.353 0.744 0 CA-C-N 120.264 1.393 . . . . 0.0 108.959 173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 44.9 mmtt -75.69 -38.12 58.94 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-N 114.773 -1.103 . . . . 0.0 111.529 -173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 88.2 mmm -53.99 -47.55 71.29 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.5 23.9 0.03 OUTLIER Glycine 0 C--N 1.347 1.143 0 N-CA-C 118.476 2.15 . . . . 0.0 118.476 -172.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . 0.315 58.3 t -128.17 95.16 2.75 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.355 0 N-CA-C 102.061 -3.311 . . . . 0.0 102.061 -149.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' N ' ' A' ' 27' ' ' LYS 0.269 0.2 OUTLIER -69.91 166.34 19.74 Favored 'General case' 0 CA--C 1.497 -1.094 0 O-C-N 125.094 1.497 . . . . 0.0 109.249 -160.432 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 pt -34.78 -37.16 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.348 0.524 0 O-C-N 124.213 0.945 . . . . 0.0 112.081 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 t -83.5 -34.89 11.14 Favored 'Isoleucine or valine' 0 C--N 1.35 0.61 0 CA-C-N 119.123 0.874 . . . . 0.0 109.255 -177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' ASN 0.403 9.8 tptt -64.66 -14.05 56.59 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 118.232 0.469 . . . . 0.0 111.977 172.216 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.0 mtm105 -90.25 -38.19 13.59 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 114.426 1.269 . . . . 0.0 114.426 169.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 53.8 mttt -63.44 -35.36 80.17 Favored 'General case' 0 CA--C 1.51 -0.592 0 N-CA-C 106.827 -1.545 . . . . 0.0 106.827 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.5 mt -58.35 -57.39 13.11 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 167.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -46.01 -48.52 16.69 Favored 'General case' 0 C--N 1.355 0.831 0 CA-C-N 119.552 1.069 . . . . 0.0 112.301 -176.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -55.86 -37.86 69.34 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.129 -0.939 . . . . 0.0 109.896 -175.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.3 m80 -115.21 50.62 0.97 Allowed 'General case' 0 C--N 1.356 0.852 0 CA-C-N 118.427 0.558 . . . . 0.0 109.548 174.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -118.07 -51.77 2.43 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-O 117.427 -1.273 . . . . 0.0 110.4 169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . 0.257 1.3 m120 89.68 -157.24 0.01 OUTLIER 'General case' 0 C--N 1.357 0.896 0 CA-C-O 117.444 -1.265 . . . . 0.0 108.532 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -179.31 141.05 0.16 Allowed 'General case' 0 CA--C 1.502 -0.867 0 N-CA-C 103.904 -2.628 . . . . 0.0 103.904 -171.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' HG3' ' N ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -161.83 171.07 18.39 Favored 'General case' 0 CA--C 1.468 -2.18 0 C-N-CA 117.173 -1.811 . . . . 0.0 107.948 -179.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 40' ' ' ILE 0.45 0.1 OUTLIER -141.87 130.96 23.26 Favored 'General case' 0 N--CA 1.426 -1.653 0 O-C-N 127.4 2.938 . . . . 0.0 109.319 -171.311 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.9 m -96.32 96.29 8.66 Favored 'General case' 0 CA--C 1.5 -0.964 0 N-CA-C 103.134 -2.913 . . . . 0.0 103.134 158.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 38' ' ' LEU . 2.6 mm -77.36 135.75 25.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 1 N-CA-C 97.058 -5.164 . . . . 0.0 97.058 175.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.5 m -126.96 92.57 3.56 Favored 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 102.479 -3.156 . . . . 0.0 102.479 163.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 28.8 mm100 -70.93 150.82 45.34 Favored 'General case' 0 CA--C 1.503 -0.837 0 N-CA-C 102.943 -2.984 . . . . 0.0 102.943 -178.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -142.43 69.91 1.32 Allowed 'General case' 0 CA--C 1.508 -0.668 0 N-CA-C 103.799 -2.667 . . . . 0.0 103.799 -177.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.26 -112.35 3.62 Favored Glycine 0 C--N 1.35 1.312 0 N-CA-C 106.985 -2.446 . . . . 0.0 106.985 -173.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -100.65 20.2 15.58 Favored 'General case' 0 CA--C 1.503 -0.843 0 CA-C-N 118.496 1.148 . . . . 0.0 111.207 175.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.4 ttmt -106.96 154.39 21.16 Favored 'General case' 0 CA--C 1.501 -0.938 0 CA-C-O 117.108 -1.425 . . . . 0.0 108.543 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -132.51 100.48 4.99 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 -177.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 3.9 m -76.25 93.21 3.37 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 102.784 -3.043 . . . . 0.0 102.784 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.44 HG22 HD13 ' A' ' 40' ' ' ILE . 2.3 t -86.6 105.76 15.15 Favored 'Isoleucine or valine' 0 C--N 1.355 0.841 0 N-CA-C 104.307 -2.479 . . . . 0.0 104.307 178.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -100.16 87.13 3.38 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 106.544 -1.65 . . . . 0.0 106.544 175.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -67.08 108.28 2.59 Favored 'General case' 0 CA--C 1.504 -0.803 0 N-CA-C 107.387 -1.338 . . . . 0.0 107.387 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.8 t -83.14 152.78 25.13 Favored 'General case' 0 CA--C 1.502 -0.876 0 C-N-CA 118.642 -1.223 . . . . 0.0 108.935 170.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 t -165.71 156.42 13.41 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-O 117.4 -1.286 . . . . 0.0 108.356 158.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -50.06 -28.55 7.27 Favored 'General case' 0 C--N 1.352 0.697 0 CA-C-N 120.112 1.324 . . . . 0.0 109.804 173.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -50.35 -68.08 0.2 Allowed 'General case' 0 C--N 1.359 0.988 0 N-CA-C 107.867 -1.16 . . . . 0.0 107.867 171.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.9 tpt180 177.1 149.6 0.15 Allowed 'General case' 0 C--N 1.356 0.86 0 CA-C-O 117.501 -1.238 . . . . 0.0 107.927 -176.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -61.9 142.42 57.41 Favored 'General case' 0 C--N 1.35 0.602 0 CA-C-O 117.289 -1.339 . . . . 0.0 108.032 174.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.46 115.86 47.3 Favored 'Isoleucine or valine' 0 C--N 1.355 0.822 0 N-CA-C 100.233 -3.988 . . . . 0.0 100.233 173.297 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -88.86 127.5 35.63 Favored 'General case' 0 C--N 1.354 0.775 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 177.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.4 t -140.58 81.6 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.854 0 CA-C-N 119.706 1.139 . . . . 0.0 108.268 -169.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.4 p -71.82 133.64 31.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.723 0 C-N-CA 119.133 -1.027 . . . . 0.0 109.516 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.514 ' CZ ' ' NE1' ' A' ' 82' ' ' TRP . 2.1 m-30 -118.48 172.96 7.12 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 107.302 -1.37 . . . . 0.0 107.302 173.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -156.44 -168.56 2.75 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 176.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 17.1 mt -73.52 90.73 1.76 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 120.549 1.522 . . . . 0.0 109.552 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.89 58.13 3.55 Favored Glycine 0 C--N 1.35 1.316 0 N-CA-C 108.126 -1.99 . . . . 0.0 108.126 175.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -113.5 148.0 16.69 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 CA-C-O 116.788 -1.577 . . . . 0.0 107.374 176.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 10.5 m -97.56 145.25 26.44 Favored 'General case' 0 C--N 1.36 1.059 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 178.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -162.79 157.59 21.7 Favored 'General case' 0 CA--C 1.502 -0.873 0 CA-C-O 117.0 -1.476 . . . . 0.0 110.201 -173.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.85 164.33 12.35 Favored 'General case' 0 C--N 1.355 0.816 0 O-C-N 124.196 0.935 . . . . 0.0 110.752 -175.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.4 t80 -149.05 152.6 36.52 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.908 -1.886 . . . . 0.0 105.908 -174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -146.46 131.62 18.38 Favored 'General case' 0 C--N 1.35 0.623 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.302 -171.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.7 mt -78.7 155.9 29.21 Favored 'General case' 0 C--N 1.355 0.834 0 CA-C-N 120.607 1.549 . . . . 0.0 108.961 176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.82 -28.81 67.07 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-O 118.286 -0.864 . . . . 0.0 111.092 176.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 39.7 t0 -56.63 -48.97 76.35 Favored 'General case' 0 C--N 1.354 0.798 0 N-CA-C 105.632 -1.988 . . . . 0.0 105.632 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 136.69 66.43 0.06 OUTLIER Glycine 0 C--N 1.351 1.389 0 N-CA-C 109.879 -1.288 . . . . 0.0 109.879 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -136.37 163.75 29.74 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 176.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -115.71 156.4 26.01 Favored 'General case' 0 CA--C 1.507 -0.677 0 O-C-N 124.583 1.177 . . . . 0.0 109.373 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 28.4 tp -162.81 145.59 10.77 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 115.989 -1.958 . . . . 0.0 108.422 -176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -157.73 143.97 17.6 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.876 2.126 . . . . 0.0 112.818 -175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.34 -167.17 18.02 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-O 118.035 -1.425 . . . . 0.0 112.864 -168.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.8 p -126.29 152.89 45.55 Favored 'General case' 0 C--N 1.356 0.856 0 O-C-N 125.705 1.474 . . . . 0.0 108.374 173.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.514 ' NE1' ' CZ ' ' A' ' 62' ' ' PHE . 14.8 m95 -131.42 145.02 51.62 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-O 117.113 -1.422 . . . . 0.0 108.381 176.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.2 t -162.41 170.96 17.9 Favored 'General case' 0 C--N 1.361 1.085 0 O-C-N 124.996 1.435 . . . . 0.0 112.83 169.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.401 HD23 HD22 ' A' ' 89' ' ' LEU . 18.5 mt -85.99 156.18 20.56 Favored 'General case' 0 CA--C 1.507 -0.687 0 O-C-N 124.835 1.334 . . . . 0.0 109.272 178.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' O ' ' C ' ' A' ' 86' ' ' GLY . 12.7 pt-20 -160.76 161.91 32.26 Favored 'General case' 0 C--N 1.351 0.648 0 CA-C-O 116.141 -1.885 . . . . 0.0 108.199 177.654 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 85' ' ' GLU . . . 24.73 -105.28 0.01 OUTLIER Glycine 0 C--N 1.357 1.739 0 CA-C-O 117.498 -1.723 . . . . 0.0 112.674 177.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -131.05 48.6 2.41 Favored 'General case' 0 C--N 1.356 0.887 0 CA-C-N 119.245 1.523 . . . . 0.0 110.295 171.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.95 176.18 11.06 Favored 'General case' 0 C--N 1.355 0.825 0 CA-C-O 118.775 -0.631 . . . . 0.0 109.614 175.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' HB3' ' CZ3' ' A' ' 82' ' ' TRP 0.288 0.2 OUTLIER -92.64 138.38 31.55 Favored 'General case' 0 N--CA 1.438 -1.046 0 CA-C-O 116.254 -1.831 . . . . 0.0 108.719 171.343 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 11.1 tt -98.17 131.96 44.15 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 O-C-N 126.561 2.413 . . . . 0.0 107.511 164.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -135.98 158.59 23.95 Favored Glycine 0 C--N 1.349 1.279 0 C-N-CA 118.573 -1.775 . . . . 0.0 109.99 165.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.47 91.33 1.96 Allowed 'General case' 0 CA--C 1.499 -0.993 0 N-CA-C 104.282 -2.488 . . . . 0.0 104.282 -161.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -84.31 163.66 19.47 Favored 'General case' 0 CA--C 1.51 -0.587 0 O-C-N 124.191 0.932 . . . . 0.0 110.412 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.4 ttpt -149.88 143.35 25.24 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.155 -1.794 . . . . 0.0 106.155 175.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -70.24 158.04 36.57 Favored 'General case' 0 CA--C 1.507 -0.698 0 N-CA-C 104.662 -2.347 . . . . 0.0 104.662 171.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.5 t -117.84 21.25 13.0 Favored 'General case' 0 CA--C 1.507 -0.697 0 CA-C-O 118.171 -0.919 . . . . 0.0 108.614 173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -126.81 -67.38 0.85 Allowed 'General case' 0 C--N 1.359 1.01 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -47.85 -57.62 5.41 Favored 'General case' 0 C--O 1.221 -0.421 0 N-CA-C 116.732 2.123 . . . . 0.0 116.732 170.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 104.06 14.3 24.93 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-O 117.306 -1.83 . . . . 0.0 114.608 -162.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.78 -179.08 3.59 Favored 'General case' 0 CA--C 1.498 -1.033 0 CA-C-N 121.238 2.519 . . . . 0.0 108.351 -178.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . 0.322 34.9 tt0 -128.22 158.79 37.13 Favored 'General case' 0 N--CA 1.434 -1.258 0 O-C-N 124.45 1.094 . . . . 0.0 109.777 -143.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.666 HD23 ' N ' ' A' ' 103' ' ' ASN . 10.4 tt -155.33 155.24 33.35 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 119.779 -0.768 . . . . 0.0 111.707 170.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.666 ' N ' HD23 ' A' ' 102' ' ' LEU . 4.1 m-80 -127.54 98.14 5.12 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.888 0.743 . . . . 0.0 111.618 -177.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 42.9 p -82.85 148.49 27.71 Favored 'General case' 0 C--N 1.351 0.658 0 CA-C-O 117.998 -1.001 . . . . 0.0 112.959 176.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 2.3 t -143.75 154.81 15.98 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.359 0 CA-C-O 117.698 -1.144 . . . . 0.0 108.853 170.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 159.02 12.51 Favored 'General case' 0 CA--C 1.481 -1.711 0 O-C-N 125.438 1.711 . . . . 0.0 112.876 171.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 114' ' ' VAL 0.339 14.2 tp10 174.5 118.18 0.02 OUTLIER 'General case' 0 CA--C 1.472 -2.03 0 C-N-CA 116.852 -1.939 . . . . 0.0 105.912 -166.013 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.402 HD13 HG21 ' A' ' 108' ' ' ILE 0.265 1.4 pt -70.62 148.56 10.71 Favored 'Isoleucine or valine' 0 CA--C 1.485 -1.548 0 C-N-CA 114.722 -2.791 . . . . 0.0 112.362 -177.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 111' ' ' ASP . 0.4 OUTLIER -127.37 148.37 32.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.986 0 O-C-N 125.951 2.032 . . . . 0.0 112.901 165.454 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 49.09 -84.24 0.01 OUTLIER Glycine 0 C--N 1.351 1.392 0 O-C-N 125.109 1.506 . . . . 0.0 113.111 -174.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' A' ' 109' ' ' ILE . 19.9 m-20 -154.99 51.15 0.6 Allowed 'General case' 0 CA--C 1.508 -0.655 0 N-CA-C 103.859 -2.645 . . . . 0.0 103.859 178.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -155.15 136.88 14.38 Favored 'General case' 0 CA--C 1.498 -1.042 0 CA-C-O 116.28 -1.819 . . . . 0.0 108.938 -173.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . 0.317 10.0 tt -94.75 105.75 17.7 Favored 'General case' 0 CA--C 1.504 -0.804 0 CA-C-N 120.39 1.45 . . . . 0.0 108.762 -177.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.403 HG12 ' O ' ' A' ' 107' ' ' GLU . 2.3 p -76.68 152.89 5.77 Favored 'Isoleucine or valine' 0 C--N 1.354 0.801 0 C-N-CA 116.285 -2.166 . . . . 0.0 108.025 177.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -141.3 147.02 37.51 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 116.099 -1.905 . . . . 0.0 109.442 168.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.53 112.06 6.12 Favored 'General case' 0 C--N 1.357 0.91 0 CA-C-O 116.763 -1.589 . . . . 0.0 106.858 -175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -110.24 144.29 39.14 Favored 'General case' 0 C--N 1.356 0.849 0 CA-C-O 116.512 -1.709 . . . . 0.0 108.002 179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 47.2 t -126.97 99.38 5.44 Favored 'Isoleucine or valine' 0 C--N 1.36 1.022 0 CA-C-O 117.555 -1.212 . . . . 0.0 109.562 177.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 121' ' ' GLY . 22.8 t80 -89.17 105.61 17.9 Favored 'General case' 0 C--N 1.361 1.074 0 CA-C-N 119.25 0.932 . . . . 0.0 112.639 -177.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 48.82 5.35 0.01 OUTLIER 'General case' 0 CA--C 1.503 -0.827 0 N-CA-C 116.173 1.916 . . . . 0.0 116.173 177.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 119' ' ' TYR . . . 164.07 -54.05 0.28 Allowed Glycine 0 CA--C 1.493 -1.285 0 C-N-CA 116.842 -2.599 . . . . 0.0 114.175 -158.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 78.4 t -108.1 132.74 55.02 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-N 112.758 -1.721 . . . . 0.0 109.073 -155.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -95.38 114.1 25.84 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 116.329 -1.796 . . . . 0.0 108.414 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -87.1 160.62 18.5 Favored 'General case' 0 CA--C 1.501 -0.908 0 N-CA-C 103.461 -2.792 . . . . 0.0 103.461 163.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.2 ttpt -148.08 121.76 9.23 Favored 'General case' 0 CA--C 1.501 -0.934 0 N-CA-C 105.947 -1.871 . . . . 0.0 105.947 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -113.88 148.7 36.27 Favored 'General case' 0 CA--C 1.493 -1.22 0 N-CA-C 104.846 -2.279 . . . . 0.0 104.846 -177.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 4.2 mp -133.03 130.1 58.04 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.795 0 N-CA-C 104.66 -2.348 . . . . 0.0 104.66 -177.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . 0.257 44.5 m-85 -128.84 135.45 49.12 Favored 'General case' 0 CA--C 1.499 -1.011 0 CA-C-O 115.941 -1.98 . . . . 0.0 107.289 -160.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 131' ' ' ASP 0.277 0.3 OUTLIER -123.45 163.38 20.97 Favored 'General case' 0 CA--C 1.503 -0.858 0 N-CA-C 104.431 -2.433 . . . . 0.0 104.431 -179.953 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -38.3 93.69 0.01 OUTLIER 'General case' 0 C--O 1.222 -0.392 0 O-C-N 124.444 1.09 . . . . 0.0 111.366 163.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.646 ' OD1' ' OXT' ' A' ' 131' ' ' ASP . 0.2 OUTLIER . . . . . 0 CA--C 1.505 -0.779 0 C-N-CA 119.37 -0.932 . . . . 0.0 113.492 140.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.059 0 CA-C-O 117.513 -1.232 . . . . 0.0 113.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 49.65 46.4 23.76 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 -176.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -156.23 112.08 3.01 Favored 'General case' 0 CA--C 1.506 -0.748 0 N-CA-C 106.648 -1.612 . . . . 0.0 106.648 179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -170.77 162.88 7.8 Favored 'General case' 0 CA--C 1.507 -0.708 0 C-N-CA 119.198 -1.001 . . . . 0.0 111.506 -162.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.92 ' HB ' ' OXT' ' A' ' 131' ' ' ASP . 97.4 m -98.94 94.59 6.64 Favored 'General case' 0 CA--C 1.496 -1.104 0 N-CA-C 102.594 -3.113 . . . . 0.0 102.594 164.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.491 ' CE2' ' HB2' ' A' ' 113' ' ' LEU . 40.6 m95 -84.65 169.33 14.45 Favored 'General case' 0 CA--C 1.494 -1.19 0 C-N-CA 117.567 -1.653 . . . . 0.0 107.843 177.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 143.72 24.57 Favored 'General case' 0 CA--C 1.505 -0.784 0 CA-C-O 117.153 -1.403 . . . . 0.0 110.421 169.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.577 HG21 ' CZ ' ' A' ' 126' ' ' ARG . 0.4 OUTLIER -56.84 153.92 2.04 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 C-N-CA 117.617 -1.633 . . . . 0.0 110.599 -177.263 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -120.23 -52.08 2.19 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-O 117.003 -1.475 . . . . 0.0 108.576 170.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -152.5 178.5 9.5 Favored 'General case' 0 C--N 1.356 0.888 0 CA-C-N 121.003 1.729 . . . . 0.0 111.889 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.552 ' OG ' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -153.18 166.95 30.9 Favored 'General case' 0 CA--C 1.503 -0.836 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 -174.906 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.02 161.88 41.04 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 118.864 -1.135 . . . . 0.0 111.592 173.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.0 m120 44.6 41.47 4.85 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 29.8 t80 -107.16 -51.63 2.89 Favored 'General case' 0 C--N 1.352 0.714 0 CA-C-O 118.42 -0.8 . . . . 0.0 112.18 -164.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -71.36 -27.55 63.43 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 105.85 -1.907 . . . . 0.0 105.85 169.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -66.3 -54.36 25.69 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 178.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 119' ' ' TYR . 1.8 t80 -49.16 -56.95 7.58 Favored 'General case' 0 CA--C 1.51 -0.575 0 C-N-CA 119.612 -0.835 . . . . 0.0 111.628 177.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 58.1 mtt -56.29 -52.48 64.37 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 106.088 -1.819 . . . . 0.0 106.088 -176.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -47.88 -43.8 28.85 Favored 'General case' 0 CA--C 1.506 -0.733 0 C-N-CA 120.003 -0.679 . . . . 0.0 109.654 -178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -60.8 -31.15 70.54 Favored 'General case' 0 CA--C 1.498 -1.033 0 N-CA-C 115.763 1.764 . . . . 0.0 115.763 -176.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 36.2 mmt -65.46 -18.82 65.61 Favored 'General case' 0 CA--C 1.506 -0.746 0 C-N-CA 118.595 -1.242 . . . . 0.0 112.426 175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 49.43 36.75 24.24 Favored Glycine 0 C--N 1.349 1.262 0 C-N-CA 119.117 -1.516 . . . . 0.0 111.468 -159.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.478 HG13 ' HB2' ' A' ' 27' ' ' LYS 0.288 0.9 OUTLIER -25.7 142.94 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.441 -0.891 0 CA-C-N 112.496 -1.852 . . . . 0.0 108.376 123.118 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.48 139.88 37.48 Favored 'General case' 0 C--O 1.219 -0.536 0 C-N-CA 116.64 -2.024 . . . . 0.0 107.809 170.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 3.4 pt -45.34 -23.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.349 0.581 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.5 t -73.98 -27.93 23.08 Favored 'Isoleucine or valine' 0 C--N 1.35 0.63 0 CA-C-N 119.94 1.246 . . . . 0.0 107.798 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HB2' HG13 ' A' ' 23' ' ' VAL . 6.4 mmtm -54.19 -52.71 60.37 Favored 'General case' 0 CA--C 1.497 -1.064 0 N-CA-C 105.876 -1.898 . . . . 0.0 105.876 167.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.3 mtm105 -64.71 -24.89 67.71 Favored 'General case' 0 CA--C 1.503 -0.829 0 N-CA-C 114.693 1.368 . . . . 0.0 114.693 -176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -62.51 -28.45 69.85 Favored 'General case' 0 CA--C 1.506 -0.739 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 34' ' ' ASP . 1.3 pt? -105.07 -22.84 13.03 Favored 'General case' 0 CA--C 1.483 -1.616 0 CA-C-O 115.7 -2.095 . . . . 0.0 113.708 170.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -65.21 -29.28 70.07 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 122.158 2.254 . . . . 0.0 105.778 177.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.93 -46.29 2.01 Favored 'General case' 0 C--N 1.358 0.965 0 O-C-N 123.277 0.361 . . . . 0.0 110.927 165.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -120.44 11.45 11.41 Favored 'General case' 0 CA--C 1.507 -0.707 0 O-C-N 124.578 1.174 . . . . 0.0 113.221 -165.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' A' ' 30' ' ' LEU . 21.3 p-10 -79.69 -45.62 18.65 Favored 'General case' 0 CA--C 1.501 -0.918 0 CA-C-O 118.315 -0.85 . . . . 0.0 111.813 -173.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 m120 71.48 -177.19 0.2 Allowed 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 117.826 -1.083 . . . . 0.0 108.096 -173.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 tt -172.31 102.58 0.16 Allowed 'General case' 0 C--N 1.353 0.742 0 CA-C-N 120.237 1.38 . . . . 0.0 109.226 -166.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' A' ' 38' ' ' LEU . 7.0 tttt -122.78 171.11 9.42 Favored 'General case' 0 CA--C 1.479 -1.773 0 C-N-CA 119.53 -0.868 . . . . 0.0 108.78 -168.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.505 HD12 ' N ' ' A' ' 40' ' ' ILE 0.407 0.1 OUTLIER -142.25 131.03 22.8 Favored 'General case' 0 N--CA 1.432 -1.374 0 O-C-N 126.0 2.062 . . . . 0.0 110.908 -168.962 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.1 m -101.1 109.55 21.45 Favored 'General case' 0 CA--C 1.5 -0.947 0 N-CA-C 105.968 -1.864 . . . . 0.0 105.968 153.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.505 ' N ' HD12 ' A' ' 38' ' ' LEU . 1.6 tt -100.19 139.97 20.41 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 1 N-CA-C 99.079 -4.415 . . . . 0.0 99.079 174.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.3 m -154.42 96.64 1.93 Allowed 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 103.021 -2.955 . . . . 0.0 103.021 -175.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.656 ' NE2' ' CE2' ' A' ' 47' ' ' PHE . 39.9 mt-30 -76.2 163.87 26.64 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 117.44 -1.704 . . . . 0.0 109.676 -178.192 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' O ' ' C ' ' A' ' 44' ' ' GLY . 12.0 tp10 -158.55 172.04 19.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-O 115.764 -2.065 . . . . 0.0 105.471 -171.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 43' ' ' GLU . . . -28.99 90.87 0.01 OUTLIER Glycine 0 C--N 1.351 1.382 0 CA-C-N 121.723 2.056 . . . . 0.0 114.944 -177.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.4 ' ND2' ' O ' ' A' ' 45' ' ' ASN . 1.9 t30 45.88 52.34 9.88 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 119.092 1.446 . . . . 0.0 109.332 -179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -151.92 149.87 29.42 Favored 'General case' 0 CA--C 1.504 -0.803 0 CA-C-O 117.269 -1.348 . . . . 0.0 108.223 -176.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.656 ' CE2' ' NE2' ' A' ' 42' ' ' GLN . 22.0 m-85 -133.29 90.34 2.72 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 106.702 -1.592 . . . . 0.0 106.702 -175.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . 0.268 11.8 t -81.86 132.04 35.27 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 104.618 -2.364 . . . . 0.0 104.618 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 t -117.38 148.27 20.24 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.693 0 N-CA-C 106.919 -1.512 . . . . 0.0 106.919 -178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -133.68 94.34 3.27 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 106.494 -1.669 . . . . 0.0 106.494 171.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -73.09 91.23 1.59 Allowed 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 104.443 -2.428 . . . . 0.0 104.443 -176.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 31.1 t -62.6 146.52 51.77 Favored 'General case' 0 CA--C 1.503 -0.833 0 N-CA-C 105.979 -1.859 . . . . 0.0 105.979 173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.5 p -170.24 151.76 3.96 Favored 'General case' 0 CA--C 1.508 -0.665 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -56.14 -25.09 44.93 Favored 'General case' 0 C--N 1.349 0.555 0 C-N-CA 119.338 -0.945 . . . . 0.0 109.516 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -47.77 -42.22 25.18 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.364 -1.303 . . . . 0.0 109.962 175.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 129.54 85.45 0.0 OUTLIER 'General case' 0 C--N 1.358 0.967 0 N-CA-C 105.974 -1.861 . . . . 0.0 105.974 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.2 p30 9.41 115.91 0.0 OUTLIER 'General case' 0 C--N 1.358 0.963 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.1 mm -101.64 116.56 45.49 Favored 'Isoleucine or valine' 0 C--N 1.36 1.023 0 N-CA-C 103.338 -2.838 . . . . 0.0 103.338 176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -79.36 129.2 34.23 Favored 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 104.8 -2.296 . . . . 0.0 104.8 171.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -142.0 155.33 19.43 Favored 'Isoleucine or valine' 0 C--N 1.353 0.746 0 N-CA-C 105.855 -1.905 . . . . 0.0 105.855 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.3 p -156.09 150.55 10.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.471 0 CA-C-N 120.42 1.464 . . . . 0.0 111.221 -177.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD11 ' A' ' 89' ' ' LEU 0.265 31.3 p90 -140.33 159.71 41.59 Favored 'General case' 0 N--CA 1.433 -1.313 0 O-C-N 125.464 1.727 . . . . 0.0 109.87 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -144.61 56.65 1.28 Allowed 'General case' 0 C--N 1.352 0.703 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -171.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 12.5 mt 59.05 80.9 0.18 Allowed 'General case' 0 C--N 1.353 0.748 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.34 63.38 1.13 Allowed Glycine 0 C--N 1.357 1.726 0 N-CA-C 109.589 -1.404 . . . . 0.0 109.589 169.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.65 152.18 13.62 Favored 'Isoleucine or valine' 0 C--N 1.355 0.84 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.462 -169.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 26.3 m -65.89 151.96 45.54 Favored 'General case' 0 C--N 1.361 1.093 0 O-C-N 124.562 1.164 . . . . 0.0 111.398 -179.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . 0.304 49.4 t80 -155.19 158.3 38.71 Favored 'General case' 0 CA--C 1.506 -0.742 0 CA-C-O 116.264 -1.826 . . . . 0.0 109.768 -169.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 30.2 p-10 -150.38 157.26 42.85 Favored 'General case' 0 CA--C 1.504 -0.827 0 CA-C-N 121.285 1.857 . . . . 0.0 111.647 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -155.58 101.41 2.17 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.144 -174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -68.34 161.74 26.75 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 171.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.49 -136.93 0.23 Allowed 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 116.701 -1.619 . . . . 0.0 107.481 178.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.65 28.23 0.03 OUTLIER 'General case' 0 C--N 1.354 0.779 0 CA-C-N 120.271 1.396 . . . . 0.0 114.639 156.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . 0.282 4.3 m-20 90.78 40.49 0.01 OUTLIER 'General case' 0 CA--C 1.498 -1.044 0 N-CA-C 108.644 -0.872 . . . . 0.0 108.644 170.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -140.63 -58.31 0.04 OUTLIER Glycine 0 C--N 1.357 1.713 0 C-N-CA 118.891 -1.623 . . . . 0.0 111.906 167.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.8 m -76.8 152.91 35.36 Favored 'General case' 0 CA--C 1.503 -0.843 0 N-CA-C 105.485 -2.043 . . . . 0.0 105.485 174.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -138.44 113.46 9.26 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 104.195 -2.52 . . . . 0.0 104.195 -176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.7 154.98 16.94 Favored 'General case' 0 CA--C 1.503 -0.84 0 CA-C-N 121.007 1.73 . . . . 0.0 107.8 168.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 21.3 tpp85 -117.04 162.1 18.34 Favored 'General case' 0 CA--C 1.503 -0.84 0 N-CA-C 104.025 -2.584 . . . . 0.0 104.025 159.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -174.15 -170.94 38.04 Favored Glycine 0 CA--C 1.489 -1.577 0 C-N-CA 117.623 -2.227 . . . . 0.0 113.106 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 8.6 p -143.6 157.77 44.16 Favored 'General case' 0 CA--C 1.5 -0.969 0 O-C-N 125.304 1.238 . . . . 0.0 108.222 173.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.788 ' CE3' HD22 ' A' ' 89' ' ' LEU . 6.0 m95 -124.82 147.74 48.57 Favored 'General case' 0 C--N 1.349 0.553 0 CA-C-O 116.852 -1.547 . . . . 0.0 110.614 175.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.7 t -151.59 98.1 2.46 Favored 'General case' 0 C--N 1.365 1.262 0 O-C-N 124.185 0.928 . . . . 0.0 109.2 178.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.589 HD13 ' CE2' ' A' ' 47' ' ' PHE 0.328 6.1 tt -74.7 150.15 39.6 Favored 'General case' 0 N--CA 1.435 -1.179 0 O-C-N 124.937 1.398 . . . . 0.0 110.061 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 87' ' ' ASN . 5.6 pt-20 -149.37 151.44 34.09 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 116.445 -1.741 . . . . 0.0 106.338 -169.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -66.53 72.77 0.16 Allowed Glycine 0 C--N 1.357 1.697 0 CA-C-N 120.216 1.371 . . . . 0.0 110.567 -170.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 85' ' ' GLU . 17.3 t-20 172.8 -49.1 0.01 OUTLIER 'General case' 0 C--N 1.355 0.811 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 -169.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.13 173.1 15.64 Favored 'General case' 0 C--N 1.36 1.027 0 CA-C-O 117.116 -1.421 . . . . 0.0 110.768 177.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.788 HD22 ' CE3' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -81.73 123.06 28.42 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-O 115.95 -1.976 . . . . 0.0 108.829 156.485 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -105.91 134.33 47.77 Favored 'Isoleucine or valine' 0 C--N 1.361 1.082 0 CA-C-O 116.389 -1.767 . . . . 0.0 111.563 169.315 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.514 ' HA3' ' CE3' ' A' ' 82' ' ' TRP . . . -137.61 167.01 24.94 Favored Glycine 0 C--N 1.362 1.978 0 CA-C-N 119.808 1.186 . . . . 0.0 113.275 179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.78 106.46 3.67 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 -171.288 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -108.81 170.23 8.17 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-O 118.499 -0.763 . . . . 0.0 110.567 -177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -145.64 141.77 28.43 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 118.35 -0.833 . . . . 0.0 110.468 -177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 4.3 mtp180 -78.07 93.95 4.59 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 13.6 t -53.05 -17.56 1.57 Allowed 'General case' 0 C--N 1.349 0.582 0 CA-C-O 115.325 -2.274 . . . . 0.0 112.936 172.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 53.2 t0 -116.79 47.67 1.42 Allowed 'General case' 0 C--N 1.364 1.196 0 CA-C-N 122.662 2.483 . . . . 0.0 112.086 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -167.46 -50.43 0.02 OUTLIER 'General case' 0 C--N 1.356 0.882 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 -177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 107.61 56.02 0.61 Allowed Glycine 0 C--N 1.356 1.681 0 N-CA-C 110.254 -1.139 . . . . 0.0 110.254 -179.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 178.92 168.33 0.93 Allowed 'General case' 0 CA--C 1.501 -0.942 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 -175.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 pm0 -147.66 175.72 10.66 Favored 'General case' 0 CA--C 1.503 -0.83 0 N-CA-C 117.946 2.573 . . . . 0.0 117.946 -162.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.682 HD22 ' CE2' ' A' ' 119' ' ' TYR . 10.6 tp -130.06 136.45 49.38 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 125.637 1.835 . . . . 0.0 108.857 -169.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -105.65 113.1 26.47 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-O 116.586 -1.674 . . . . 0.0 107.423 170.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.6 p -103.54 155.61 18.4 Favored 'General case' 0 C--N 1.361 1.087 0 CA-C-N 120.225 1.375 . . . . 0.0 110.594 -179.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 55.3 t -134.62 147.88 29.67 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.504 0 CA-C-O 116.646 -1.645 . . . . 0.0 110.838 165.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -133.89 125.0 27.4 Favored 'General case' 0 CA--C 1.499 -1.003 1 N-CA-C 98.91 -4.478 . . . . 0.0 98.91 176.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -161.1 164.6 30.61 Favored 'General case' 0 CA--C 1.476 -1.884 0 CA-C-O 114.592 -2.623 . . . . 0.0 105.199 172.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.448 HD13 HG21 ' A' ' 108' ' ' ILE 0.269 0.9 OUTLIER -119.27 147.49 22.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.03 0 O-C-N 125.535 1.772 . . . . 0.0 112.479 177.038 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 110' ' ' GLY . 0.6 OUTLIER -111.46 179.56 1.13 Allowed 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 104.033 -2.58 . . . . 0.0 104.033 171.35 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 109' ' ' ILE . . . 16.22 -81.35 0.0 OUTLIER Glycine 0 C--N 1.346 1.091 0 O-C-N 125.331 1.645 . . . . 0.0 116.085 170.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -152.32 31.86 0.53 Allowed 'General case' 0 CA--C 1.505 -0.76 0 CA-C-O 117.964 -1.017 . . . . 0.0 108.414 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.75 138.75 52.87 Favored 'General case' 0 CA--C 1.49 -1.337 0 CA-C-O 116.789 -1.577 . . . . 0.0 107.579 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.491 ' HB2' ' CE2' ' A' ' 6' ' ' TRP . 8.6 tt -89.39 145.08 25.58 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 103.662 -2.718 . . . . 0.0 103.662 168.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 5.9 p -127.63 157.68 39.4 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.93 0 CA-C-O 117.283 -1.341 . . . . 0.0 108.431 175.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.444 ' OE1' ' CE1' ' A' ' 128' ' ' PHE . 11.7 mp0 -133.18 158.36 43.05 Favored 'General case' 0 CA--C 1.498 -1.049 0 C-N-CA 119.393 -0.923 . . . . 0.0 111.252 166.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 3.9 p -136.37 105.55 5.99 Favored 'General case' 0 C--N 1.354 0.765 0 N-CA-C 105.292 -2.114 . . . . 0.0 105.292 177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -101.29 103.77 14.76 Favored 'General case' 0 C--N 1.361 1.078 0 CA-C-O 117.349 -1.31 . . . . 0.0 108.35 -177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 2.4 t -96.35 116.56 38.63 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 CA-C-O 115.84 -2.028 . . . . 0.0 112.638 178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.709 ' CZ ' ' CZ ' ' A' ' 17' ' ' PHE . 73.8 m-85 -114.31 101.99 9.69 Favored 'General case' 0 C--N 1.363 1.174 0 CA-C-N 121.486 1.948 . . . . 0.0 109.306 -178.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 57.18 4.67 0.21 Allowed 'General case' 0 CA--C 1.503 -0.838 0 N-CA-C 117.288 2.329 . . . . 0.0 117.288 173.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 155.4 -55.33 0.41 Allowed Glycine 0 CA--C 1.48 -2.11 0 C-N-CA 118.241 -1.933 . . . . 0.0 109.04 -173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 47.5 t -68.61 146.02 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.451 0 CA-C-N 110.914 -2.643 . . . . 0.0 106.38 -174.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -118.82 123.66 45.29 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 106.128 -1.805 . . . . 0.0 106.128 174.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -118.75 172.18 7.69 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 177.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -161.18 142.6 11.71 Favored 'General case' 0 CA--C 1.484 -1.578 0 CA-C-O 115.939 -1.982 . . . . 0.0 110.726 -172.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.577 ' CZ ' HG21 ' A' ' 8' ' ' VAL . 1.3 mmp_? -131.09 140.31 50.0 Favored 'General case' 0 C--N 1.356 0.871 0 O-C-N 126.808 2.568 . . . . 0.0 109.645 177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.22 136.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 CA-C-O 116.021 -1.942 . . . . 0.0 106.069 -176.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.444 ' CE1' ' OE1' ' A' ' 115' ' ' GLN . 33.3 m-85 -131.52 141.81 49.81 Favored 'General case' 0 C--N 1.357 0.891 0 O-C-N 126.404 2.315 . . . . 0.0 110.232 -171.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . 0.298 1.4 mptp? -125.33 169.07 12.68 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 175.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . 0.362 5.1 pttt -111.84 171.07 7.71 Favored 'General case' 0 CA--C 1.501 -0.909 0 N-CA-C 120.382 3.475 . . . . 0.0 120.382 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.92 ' OXT' ' HB ' ' A' ' 5' ' ' THR . 9.9 t70 . . . . . 0 C--N 1.357 0.894 0 CA-C-N 113.454 -1.703 . . . . 0.0 110.105 -145.875 . . . . . . . . 1 1 . 1 stop_ save_